1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine

C18H30N2 — CID 65088557

IUPAC1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
SMILESCCN(c1ccccc1)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C18H30N2/c1-4-20(16-9-6-5-7-10-16)18(15-19)12-8-11-17(2,3)13-14-18/h5-7,9-10H,4,8,11-15,19H2,1-3H3
InChIKeyRROFUIUVXITXMQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds4

About 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine

1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine (PubChem CID 65088557) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
PubChem CID65088557
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
SMILESCCN(c1ccccc1)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C18H30N2/c1-4-20(16-9-6-5-7-10-16)18(15-19)12-8-11-17(2,3)13-14-18/h5-7,9-10H,4,8,11-15,19H2,1-3H3
InChIKeyRROFUIUVXITXMQ-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44405565
1-[2-(4-Methyl-1,4-diazepan-1-yl)phenyl]methanamine
CID 24229619
2-tert-butyl-N-ethylaniline
CID 522571
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CID 13710454

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine (CID 65088557) is 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine is CCN(c1ccccc1)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine?
The InChIKey is RROFUIUVXITXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(16-9-6-5-7-10-16)18(15-19)12-8-11-17(2,3)13-14-18/h5-7,9-10H,4,8,11-15,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine is sourced from PubChem (CID 65088557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).