N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine

C18H34N2O — CID 79491008

IUPACN-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(Cc1ccc(CNC(C)C)o1)CC(C)C
InChIInChI=1S/C18H34N2O/c1-7-16(8-2)20(12-14(3)4)13-18-10-9-17(21-18)11-19-15(5)6/h9-10,14-16,19H,7-8,11-13H2,1-6H3
InChIKeyGTPIECYRGPMUGD-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.42
Rot. Bonds10

About N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine

N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine (PubChem CID 79491008) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
PubChem CID79491008
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(Cc1ccc(CNC(C)C)o1)CC(C)C
InChIInChI=1S/C18H34N2O/c1-7-16(8-2)20(12-14(3)4)13-18-10-9-17(21-18)11-19-15(5)6/h9-10,14-16,19H,7-8,11-13H2,1-6H3
InChIKeyGTPIECYRGPMUGD-UHFFFAOYSA-N
XLogP4.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62431328
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107764107
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107760284

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine (CID 79491008) is N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine is CCC(CC)N(Cc1ccc(CNC(C)C)o1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
The InChIKey is GTPIECYRGPMUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-16(8-2)20(12-14(3)4)13-18-10-9-17(21-18)11-19-15(5)6/h9-10,14-16,19H,7-8,11-13H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine has a molecular weight of 294.48 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 79491008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).