1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine

C14H30N2 — CID 65385598

IUPAC1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(NC(C)CC)CC1
InChIInChI=1S/C14H30N2/c1-4-12(3)16-14(11-15)9-6-7-13(5-2)8-10-14/h12-13,16H,4-11,15H2,1-3H3
InChIKeyKTVYJEQTVYPVFH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.06
Rot. Bonds5

About 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine

1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine (PubChem CID 65385598) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
PubChem CID65385598
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(NC(C)CC)CC1
InChIInChI=1S/C14H30N2/c1-4-12(3)16-14(11-15)9-6-7-13(5-2)8-10-14/h12-13,16H,4-11,15H2,1-3H3
InChIKeyKTVYJEQTVYPVFH-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
CID 65380981
1-(aminomethyl)-N-but-3-ynyl-4-ethylcycloheptan-1-amine
CID 116641005
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
CID 102697177
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine (CID 65385598) is 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine is CCC1CCCC(CN)(NC(C)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine?
The InChIKey is KTVYJEQTVYPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-12(3)16-14(11-15)9-6-7-13(5-2)8-10-14/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine?
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65385598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).