1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine

C17H29N3 — CID 81247515

IUPAC1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3/c1-17(2,3)15-6-5-10-20(11-8-15)16-7-9-19-13-14(16)12-18-4/h7,9,13,15,18H,5-6,8,10-12H2,1-4H3
InChIKeyJNWGRSBZWFSEHS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.45
Rot. Bonds3

About 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 81247515) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID81247515
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3/c1-17(2,3)15-6-5-10-20(11-8-15)16-7-9-19-13-14(16)12-18-4/h7,9,13,15,18H,5-6,8,10-12H2,1-4H3
InChIKeyJNWGRSBZWFSEHS-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 81247515) is 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is JNWGRSBZWFSEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,3)15-6-5-10-20(11-8-15)16-7-9-19-13-14(16)12-18-4/h7,9,13,15,18H,5-6,8,10-12H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81247515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).