1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine

C17H36N2 — CID 102912303

IUPAC1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(NCC(C(C)C)C(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-15-7-9-17(12-18,10-8-15)19-11-16(13(2)3)14(4)5/h13-16,19H,6-12,18H2,1-5H3
InChIKeyMGBKHTFHDGZKMZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.80
Rot. Bonds7

About 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine (PubChem CID 102912303) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
PubChem CID102912303
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(NCC(C(C)C)C(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-15-7-9-17(12-18,10-8-15)19-11-16(13(2)3)14(4)5/h13-16,19H,6-12,18H2,1-5H3
InChIKeyMGBKHTFHDGZKMZ-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
CID 102912617
1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912648
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
CID 65380981
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
1-(aminomethyl)-N-but-3-ynyl-4-ethylcycloheptan-1-amine
CID 116641005
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
1-(aminomethyl)-3-ethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 114616252

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine (CID 102912303) is 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine is CCC1CCC(CN)(NCC(C(C)C)C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The InChIKey is MGBKHTFHDGZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-15-7-9-17(12-18,10-8-15)19-11-16(13(2)3)14(4)5/h13-16,19H,6-12,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 102912303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).