(1,5-dimethylazepan-4-yl)methanamine

C9H20N2 — CID 84763759

IUPAC(1,5-dimethylazepan-4-yl)methanamine
SMILESCC1CCN(C)CCC1CN
InChIInChI=1S/C9H20N2/c1-8-3-5-11(2)6-4-9(8)7-10/h8-9H,3-7,10H2,1-2H3
InChIKeyQDFMJBSRVWRFAX-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.92
Rot. Bonds1

About (1,5-dimethylazepan-4-yl)methanamine

(1,5-dimethylazepan-4-yl)methanamine (PubChem CID 84763759) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (1,5-dimethylazepan-4-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethylazepan-4-yl)methanamine
PubChem CID84763759
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(1,5-dimethylazepan-4-yl)methanamine
SMILESCC1CCN(C)CCC1CN
InChIInChI=1S/C9H20N2/c1-8-3-5-11(2)6-4-9(8)7-10/h8-9H,3-7,10H2,1-2H3
InChIKeyQDFMJBSRVWRFAX-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylazepan-4-yl)methanamine?
The IUPAC name of (1,5-dimethylazepan-4-yl)methanamine (CID 84763759) is (1,5-dimethylazepan-4-yl)methanamine.
What is the SMILES notation for (1,5-dimethylazepan-4-yl)methanamine?
The canonical SMILES for (1,5-dimethylazepan-4-yl)methanamine is CC1CCN(C)CCC1CN.
What is the InChIKey of (1,5-dimethylazepan-4-yl)methanamine?
The InChIKey is QDFMJBSRVWRFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8-3-5-11(2)6-4-9(8)7-10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of (1,5-dimethylazepan-4-yl)methanamine?
(1,5-dimethylazepan-4-yl)methanamine has a molecular weight of 156.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylazepan-4-yl)methanamine is sourced from PubChem (CID 84763759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).