1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine

C18H24N2 — CID 145472636

IUPAC1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine
SMILESCc1cncc(CCC(N)CCCc2ccccc2)c1
InChIInChI=1S/C18H24N2/c1-15-12-17(14-20-13-15)10-11-18(19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8-11,19H2,1H3
InChIKeyFMTZMLKEYPIQDU-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.67
Rot. Bonds7

About 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine

1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine (PubChem CID 145472636) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine
PubChem CID145472636
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine
SMILESCc1cncc(CCC(N)CCCc2ccccc2)c1
InChIInChI=1S/C18H24N2/c1-15-12-17(14-20-13-15)10-11-18(19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8-11,19H2,1H3
InChIKeyFMTZMLKEYPIQDU-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyloctan-4-amine
CID 79413314
7-phenylheptane-1,4-diamine
CID 174860311
6-phenylhexane-1,4-diamine
CID 23163544
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
(3R)-1-phenylhexan-3-amine
CID 66612996
ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
CID 145472925
ethane;1-N-ethyl-4-(5-methyl-3-pyridinyl)-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 145472693
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine (CID 145472636) is 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine is Cc1cncc(CCC(N)CCCc2ccccc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine?
The InChIKey is FMTZMLKEYPIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-12-17(14-20-13-15)10-11-18(19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8-11,19H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine?
1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine has a molecular weight of 268.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine is sourced from PubChem (CID 145472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).