N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine

C19H38N2O2 — CID 170039525

IUPACN-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCC1COC2C(CNCC(C)(C)C)COC12
InChIInChI=1S/C19H38N2O2/c1-14(2)7-6-8-20-9-15-11-22-18-16(12-23-17(15)18)10-21-13-19(3,4)5/h14-18,20-21H,6-13H2,1-5H3
InChIKeyPZEZCJWDBZQDKQ-UHFFFAOYSA-N
MW326.52 g/mol
LogP2.68
Rot. Bonds9

About N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine

N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine (PubChem CID 170039525) has the molecular formula C19H38N2O2 and a molecular weight of 326.52 g/mol. Its IUPAC name is N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine
PubChem CID170039525
Molecular FormulaC19H38N2O2
Molecular Weight326.52 g/mol
Exact Mass326.29
IUPAC NameN-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCC1COC2C(CNCC(C)(C)C)COC12
InChIInChI=1S/C19H38N2O2/c1-14(2)7-6-8-20-9-15-11-22-18-16(12-23-17(15)18)10-21-13-19(3,4)5/h14-18,20-21H,6-13H2,1-5H3
InChIKeyPZEZCJWDBZQDKQ-UHFFFAOYSA-N
XLogP2.68
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine
CID 66238333
3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
CID 115214235
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine;hydrochloride
CID 173359513
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
CID 115326087
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
N-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine
CID 115326187

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine?
The IUPAC name of N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine (CID 170039525) is N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine is CC(C)CCCNCC1COC2C(CNCC(C)(C)C)COC12.
What is the InChIKey of N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine?
The InChIKey is PZEZCJWDBZQDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-14(2)7-6-8-20-9-15-11-22-18-16(12-23-17(15)18)10-21-13-19(3,4)5/h14-18,20-21H,6-13H2,1-5H3.
What are the key properties of N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine?
N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine has a molecular weight of 326.52 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,2-dimethylpropylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 170039525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).