2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine

C18H38N2O — CID 82939923

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(CN)C(N(CCOC)C(C)C)C1
InChIInChI=1S/C18H38N2O/c1-7-18(4,5)16-9-8-15(13-19)17(12-16)20(14(2)3)10-11-21-6/h14-17H,7-13,19H2,1-6H3
InChIKeyPXVWJVCSNUHNFP-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.52
Rot. Bonds8

About 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine

2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 82939923) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID82939923
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(CN)C(N(CCOC)C(C)C)C1
InChIInChI=1S/C18H38N2O/c1-7-18(4,5)16-9-8-15(13-19)17(12-16)20(14(2)3)10-11-21-6/h14-17H,7-13,19H2,1-6H3
InChIKeyPXVWJVCSNUHNFP-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 55001186
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 63404054
3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498395
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293648
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 55000765
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(2-propan-2-yloxyethyl)cyclohexane-1,2-diamine
CID 81055494
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
CID 81329173
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine (CID 82939923) is 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine is CCC(C)(C)C1CCC(CN)C(N(CCOC)C(C)C)C1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is PXVWJVCSNUHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-18(4,5)16-9-8-15(13-19)17(12-16)20(14(2)3)10-11-21-6/h14-17H,7-13,19H2,1-6H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine?
2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 82939923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).