1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C16H26N2 — CID 115376208

IUPAC1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NCC2CCCCCC2)c1
InChIInChI=1S/C16H26N2/c1-18(2)16-11-7-10-15(12-16)17-13-14-8-5-3-4-6-9-14/h7,10-12,14,17H,3-6,8-9,13H2,1-2H3
InChIKeyGIVHVYXKNIGLQJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.13
Rot. Bonds4

About 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376208) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376208
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NCC2CCCCCC2)c1
InChIInChI=1S/C16H26N2/c1-18(2)16-11-7-10-15(12-16)17-13-14-8-5-3-4-6-9-14/h7,10-12,14,17H,3-6,8-9,13H2,1-2H3
InChIKeyGIVHVYXKNIGLQJ-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376208) is 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(NCC2CCCCCC2)c1.
What is the InChIKey of 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is GIVHVYXKNIGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(2)16-11-7-10-15(12-16)17-13-14-8-5-3-4-6-9-14/h7,10-12,14,17H,3-6,8-9,13H2,1-2H3.
What are the key properties of 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).