1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine

C14H30N2 — CID 65088009

IUPAC1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(CC)CC)CC1
InChIInChI=1S/C14H30N2/c1-4-13-8-7-10-14(12-15,11-9-13)16(5-2)6-3/h13H,4-12,15H2,1-3H3
InChIKeyZNJQCCOIXYCYRM-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.02
Rot. Bonds5

About 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine

1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine (PubChem CID 65088009) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
PubChem CID65088009
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(CC)CC)CC1
InChIInChI=1S/C14H30N2/c1-4-13-8-7-10-14(12-15,11-9-13)16(5-2)6-3/h13H,4-12,15H2,1-3H3
InChIKeyZNJQCCOIXYCYRM-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65088021
2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-N,4-diethyl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
CID 62009915
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
CID 65087751
2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine (CID 65088009) is 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine is CCC1CCCC(CN)(N(CC)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine?
The InChIKey is ZNJQCCOIXYCYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13-8-7-10-14(12-15,11-9-13)16(5-2)6-3/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine?
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine is sourced from PubChem (CID 65088009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).