N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine

C18H34N2O — CID 79488811

IUPACN-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(Cc1cc(CNC(C)C)co1)CC(C)C
InChIInChI=1S/C18H34N2O/c1-7-17(8-2)20(11-14(3)4)12-18-9-16(13-21-18)10-19-15(5)6/h9,13-15,17,19H,7-8,10-12H2,1-6H3
InChIKeyPPWZCBKDCJYOEU-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.42
Rot. Bonds10

About N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine

N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine (PubChem CID 79488811) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
PubChem CID79488811
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(Cc1cc(CNC(C)C)co1)CC(C)C
InChIInChI=1S/C18H34N2O/c1-7-17(8-2)20(11-14(3)4)12-18-9-16(13-21-18)10-19-15(5)6/h9,13-15,17,19H,7-8,10-12H2,1-6H3
InChIKeyPPWZCBKDCJYOEU-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

CID 18116
CID 18116
CID 11475093
CID 11475093
CID 25093405
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CID 2650177
CID 2650177
CID 3150631
CID 3150631
CID 2982204
CID 2982204
CID 3312689
CID 3312689
CID 1080489
CID 1080489
CID 2063331
CID 2063331
CID 3754087
CID 3754087
CID 4722616
CID 4722616
CID 12572948
CID 12572948

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine (CID 79488811) is N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine is CCC(CC)N(Cc1cc(CNC(C)C)co1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
The InChIKey is PPWZCBKDCJYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-17(8-2)20(11-14(3)4)12-18-9-16(13-21-18)10-19-15(5)6/h9,13-15,17,19H,7-8,10-12H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine?
N-(2-methylpropyl)-N-[[4-[(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-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 79488811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).