N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine

C17H29NO — CID 81029613

IUPACN-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(c2ccoc2)C1
InChIInChI=1S/C17H29NO/c1-4-5-14-6-7-15(11-18-13(2)3)17(10-14)16-8-9-19-12-16/h8-9,12-15,17-18H,4-7,10-11H2,1-3H3
InChIKeyGQLZGWRYSBEGLC-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.58
Rot. Bonds6

About N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine

N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine (PubChem CID 81029613) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
PubChem CID81029613
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(c2ccoc2)C1
InChIInChI=1S/C17H29NO/c1-4-5-14-6-7-15(11-18-13(2)3)17(10-14)16-8-9-19-12-16/h8-9,12-15,17-18H,4-7,10-11H2,1-3H3
InChIKeyGQLZGWRYSBEGLC-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
[2-(furan-3-yl)-4-propylcyclohexyl]methanamine
CID 81012027
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81034887
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 114667511
N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030599
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
CID 63208002
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine (CID 81029613) is N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)C)C(c2ccoc2)C1.
What is the InChIKey of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine?
The InChIKey is GQLZGWRYSBEGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-14-6-7-15(11-18-13(2)3)17(10-14)16-8-9-19-12-16/h8-9,12-15,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine?
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81029613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).