N-cycloheptyl-N,2-dimethylbutane-1,4-diamine

C13H28N2 — CID 80544341

IUPACN-cycloheptyl-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)C1CCCCCC1
InChIInChI=1S/C13H28N2/c1-12(9-10-14)11-15(2)13-7-5-3-4-6-8-13/h12-13H,3-11,14H2,1-2H3
InChIKeyNWTVUMVRHKXGCB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds5

About N-cycloheptyl-N,2-dimethylbutane-1,4-diamine

N-cycloheptyl-N,2-dimethylbutane-1,4-diamine (PubChem CID 80544341) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-cycloheptyl-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N,2-dimethylbutane-1,4-diamine
PubChem CID80544341
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-cycloheptyl-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)C1CCCCCC1
InChIInChI=1S/C13H28N2/c1-12(9-10-14)11-15(2)13-7-5-3-4-6-8-13/h12-13H,3-11,14H2,1-2H3
InChIKeyNWTVUMVRHKXGCB-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-cycloheptyl-N,2-dimethylbutane-1,4-diamine (CID 80544341) is N-cycloheptyl-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-cycloheptyl-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-cycloheptyl-N,2-dimethylbutane-1,4-diamine is CC(CCN)CN(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N,2-dimethylbutane-1,4-diamine?
The InChIKey is NWTVUMVRHKXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(9-10-14)11-15(2)13-7-5-3-4-6-8-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N-cycloheptyl-N,2-dimethylbutane-1,4-diamine?
N-cycloheptyl-N,2-dimethylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 80544341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).