3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol

C14H30N2O — CID 113459480

IUPAC3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol
SMILESCCC1CCC(N(C)C(CO)C(N)CC)CC1
InChIInChI=1S/C14H30N2O/c1-4-11-6-8-12(9-7-11)16(3)14(10-17)13(15)5-2/h11-14,17H,4-10,15H2,1-3H3
InChIKeyHTZROGXSCHQRPM-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol

3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol (PubChem CID 113459480) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol
PubChem CID113459480
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol
SMILESCCC1CCC(N(C)C(CO)C(N)CC)CC1
InChIInChI=1S/C14H30N2O/c1-4-11-6-8-12(9-7-11)16(3)14(10-17)13(15)5-2/h11-14,17H,4-10,15H2,1-3H3
InChIKeyHTZROGXSCHQRPM-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 76915568
3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 114356718
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
3-amino-4-methyl-2-[methyl-(4-methylcyclohexyl)amino]pentan-1-ol
CID 114356872
3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 63467967
3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine
CID 61437065
3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64898082
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 54948197
3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 114356481
2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
CID 64775079

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol?
The IUPAC name of 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol (CID 113459480) is 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol is CCC1CCC(N(C)C(CO)C(N)CC)CC1.
What is the InChIKey of 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol?
The InChIKey is HTZROGXSCHQRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-11-6-8-12(9-7-11)16(3)14(10-17)13(15)5-2/h11-14,17H,4-10,15H2,1-3H3.
What are the key properties of 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol?
3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 113459480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).