1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine

C18H36N2O — CID 62384555

IUPAC1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CCOCC1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C18H36N2O/c1-3-11-20(14-17-7-12-21-13-8-17)18(15-19)9-5-16(4-2)6-10-18/h16-17H,3-15,19H2,1-2H3
InChIKeyFALSYDHUJSFBAU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds7

About 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine (PubChem CID 62384555) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
PubChem CID62384555
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CCOCC1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C18H36N2O/c1-3-11-20(14-17-7-12-21-13-8-17)18(15-19)9-5-16(4-2)6-10-18/h16-17H,3-15,19H2,1-2H3
InChIKeyFALSYDHUJSFBAU-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-N,4-diethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
CID 62009915
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
CID 64500122
1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 62698202
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64750874
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine (CID 62384555) is 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine is CCCN(CC1CCOCC1)C1(CN)CCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine?
The InChIKey is FALSYDHUJSFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-11-20(14-17-7-12-21-13-8-17)18(15-19)9-5-16(4-2)6-10-18/h16-17H,3-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62384555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).