2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine

C14H30N2O — CID 116502185

IUPAC2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCCN(CC(C)COC)C1CCCCC1CN
InChIInChI=1S/C14H30N2O/c1-4-16(10-12(2)11-17-3)14-8-6-5-7-13(14)9-15/h12-14H,4-11,15H2,1-3H3
InChIKeyISWBJLBLGQDRAS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine

2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine (PubChem CID 116502185) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
PubChem CID116502185
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCCN(CC(C)COC)C1CCCCC1CN
InChIInChI=1S/C14H30N2O/c1-4-16(10-12(2)11-17-3)14-8-6-5-7-13(14)9-15/h12-14H,4-11,15H2,1-3H3
InChIKeyISWBJLBLGQDRAS-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588483
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
CID 43588484
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 55000765
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
CID 54985662
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
CID 63382692
N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
CID 116502156

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine (CID 116502185) is 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine is CCN(CC(C)COC)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
The InChIKey is ISWBJLBLGQDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-16(10-12(2)11-17-3)14-8-6-5-7-13(14)9-15/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine?
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 116502185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).