1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine

C17H28N2 — CID 114458229

IUPAC1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine
SMILESCNC(CC1CCCCCC1)C(C)c1ccncc1
InChIInChI=1S/C17H28N2/c1-14(16-9-11-19-12-10-16)17(18-2)13-15-7-5-3-4-6-8-15/h9-12,14-15,17-18H,3-8,13H2,1-2H3
InChIKeyJWOZMUJFSPZGNZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds5

About 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine

1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine (PubChem CID 114458229) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine
PubChem CID114458229
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine
SMILESCNC(CC1CCCCCC1)C(C)c1ccncc1
InChIInChI=1S/C17H28N2/c1-14(16-9-11-19-12-10-16)17(18-2)13-15-7-5-3-4-6-8-15/h9-12,14-15,17-18H,3-8,13H2,1-2H3
InChIKeyJWOZMUJFSPZGNZ-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine (CID 114458229) is 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine is CNC(CC1CCCCCC1)C(C)c1ccncc1.
What is the InChIKey of 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
The InChIKey is JWOZMUJFSPZGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(16-9-11-19-12-10-16)17(18-2)13-15-7-5-3-4-6-8-15/h9-12,14-15,17-18H,3-8,13H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 114458229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).