N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine

C17H34N2 — CID 43613832

IUPACN-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
SMILESCCC1CCC(CN)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C17H34N2/c1-3-14-10-11-15(13-18)17(12-14)19(2)16-8-6-4-5-7-9-16/h14-17H,3-13,18H2,1-2H3
InChIKeyBSQUYHCJZMPFED-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds4

About N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine

N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine (PubChem CID 43613832) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
PubChem CID43613832
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
SMILESCCC1CCC(CN)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C17H34N2/c1-3-14-10-11-15(13-18)17(12-14)19(2)16-8-6-4-5-7-9-16/h14-17H,3-13,18H2,1-2H3
InChIKeyBSQUYHCJZMPFED-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-cyclohexyl-5-ethyl-N-methylcyclohexan-1-amine
CID 43329364
2-(aminomethyl)-N-cyclopentyl-N-methylcyclopentan-1-amine
CID 43293690
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 55002153
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine
CID 43530795
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 43329366
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 106914850

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine (CID 43613832) is N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine is CCC1CCC(CN)C(N(C)C2CCCCCC2)C1.
What is the InChIKey of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine?
The InChIKey is BSQUYHCJZMPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-14-10-11-15(13-18)17(12-14)19(2)16-8-6-4-5-7-9-16/h14-17H,3-13,18H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine?
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine is sourced from PubChem (CID 43613832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).