N-(1-pyridin-3-ylethyl)heptan-2-amine

C14H24N2 — CID 43203632

IUPACN-(1-pyridin-3-ylethyl)heptan-2-amine
SMILESCCCCCC(C)NC(C)c1cccnc1
InChIInChI=1S/C14H24N2/c1-4-5-6-8-12(2)16-13(3)14-9-7-10-15-11-14/h7,9-13,16H,4-6,8H2,1-3H3
InChIKeyVMRNIIGEVJLXTR-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds7

About N-(1-pyridin-3-ylethyl)heptan-2-amine

N-(1-pyridin-3-ylethyl)heptan-2-amine (PubChem CID 43203632) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)heptan-2-amine
PubChem CID43203632
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(1-pyridin-3-ylethyl)heptan-2-amine
SMILESCCCCCC(C)NC(C)c1cccnc1
InChIInChI=1S/C14H24N2/c1-4-5-6-8-12(2)16-13(3)14-9-7-10-15-11-14/h7,9-13,16H,4-6,8H2,1-3H3
InChIKeyVMRNIIGEVJLXTR-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
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

N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)heptan-2-amine?
The IUPAC name of N-(1-pyridin-3-ylethyl)heptan-2-amine (CID 43203632) is N-(1-pyridin-3-ylethyl)heptan-2-amine.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)heptan-2-amine?
The canonical SMILES for N-(1-pyridin-3-ylethyl)heptan-2-amine is CCCCCC(C)NC(C)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)heptan-2-amine?
The InChIKey is VMRNIIGEVJLXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-6-8-12(2)16-13(3)14-9-7-10-15-11-14/h7,9-13,16H,4-6,8H2,1-3H3.
What are the key properties of N-(1-pyridin-3-ylethyl)heptan-2-amine?
N-(1-pyridin-3-ylethyl)heptan-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)heptan-2-amine is sourced from PubChem (CID 43203632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).