1-pyridin-3-ylundecan-2-amine

C16H28N2 — CID 62603230

IUPAC1-pyridin-3-ylundecan-2-amine
SMILESCCCCCCCCCC(N)Cc1cccnc1
InChIInChI=1S/C16H28N2/c1-2-3-4-5-6-7-8-11-16(17)13-15-10-9-12-18-14-15/h9-10,12,14,16H,2-8,11,13,17H2,1H3
InChIKeyDRPVFKFSGPZGNK-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.09
Rot. Bonds10

About 1-pyridin-3-ylundecan-2-amine

1-pyridin-3-ylundecan-2-amine (PubChem CID 62603230) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-pyridin-3-ylundecan-2-amine.

Molecular Properties

Compound Name1-pyridin-3-ylundecan-2-amine
PubChem CID62603230
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-pyridin-3-ylundecan-2-amine
SMILESCCCCCCCCCC(N)Cc1cccnc1
InChIInChI=1S/C16H28N2/c1-2-3-4-5-6-7-8-11-16(17)13-15-10-9-12-18-14-15/h9-10,12,14,16H,2-8,11,13,17H2,1H3
InChIKeyDRPVFKFSGPZGNK-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-hexyloctyl)pyridine
CID 167277838
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
3-(2-cyclopropylheptyl)pyridine
CID 57314652
3-(2-ethylhexyl)pyridine
CID 57206063
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylundecan-2-amine?
The IUPAC name of 1-pyridin-3-ylundecan-2-amine (CID 62603230) is 1-pyridin-3-ylundecan-2-amine.
What is the SMILES notation for 1-pyridin-3-ylundecan-2-amine?
The canonical SMILES for 1-pyridin-3-ylundecan-2-amine is CCCCCCCCCC(N)Cc1cccnc1.
What is the InChIKey of 1-pyridin-3-ylundecan-2-amine?
The InChIKey is DRPVFKFSGPZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-3-4-5-6-7-8-11-16(17)13-15-10-9-12-18-14-15/h9-10,12,14,16H,2-8,11,13,17H2,1H3.
What are the key properties of 1-pyridin-3-ylundecan-2-amine?
1-pyridin-3-ylundecan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylundecan-2-amine is sourced from PubChem (CID 62603230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).