1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine

C19H32N2 — CID 65088362

IUPAC1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
SMILESCCN(Cc1ccccc1)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C19H32N2/c1-4-21(15-17-9-6-5-7-10-17)19(16-20)12-8-11-18(2,3)13-14-19/h5-7,9-10H,4,8,11-16,20H2,1-3H3
InChIKeyNRJWWYJZMFEXOJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds5

About 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine (PubChem CID 65088362) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
PubChem CID65088362
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
SMILESCCN(Cc1ccccc1)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C19H32N2/c1-4-21(15-17-9-6-5-7-10-17)19(16-20)12-8-11-18(2,3)13-14-19/h5-7,9-10H,4,8,11-16,20H2,1-3H3
InChIKeyNRJWWYJZMFEXOJ-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Myristalkonium ion
CID 8756
Cetalkonium
CID 31203
Benzalkonium
CID 2330
Benzododecinium
CID 8754
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
(2-Aminoethyl)(benzyl)methylamine
CID 3014812
N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
Benzyl[2-(diethylamino)ethyl]amine
CID 296044
N,N-dimethyl-N-octadecylbenzylammonium
CID 31205
(2-Amino-2-phenylethyl)dimethylamine
CID 3158584
(2-Amino-1-phenylethyl)diethylamine
CID 3860307

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine (CID 65088362) is 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine is CCN(Cc1ccccc1)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine?
The InChIKey is NRJWWYJZMFEXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-21(15-17-9-6-5-7-10-17)19(16-20)12-8-11-18(2,3)13-14-19/h5-7,9-10H,4,8,11-16,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65088362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).