N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine

C14H24N2 — CID 28644656

IUPACN-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
SMILESCCCC(CCC)N[C@H](C)c1ccncc1
InChIInChI=1S/C14H24N2/c1-4-6-14(7-5-2)16-12(3)13-8-10-15-11-9-13/h8-12,14,16H,4-7H2,1-3H3/t12-/m1/s1
InChIKeyGRMVHIZYTQUUET-GFCCVEGCSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds7

About N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine

N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine (PubChem CID 28644656) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
PubChem CID28644656
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
SMILESCCCC(CCC)N[C@H](C)c1ccncc1
InChIInChI=1S/C14H24N2/c1-4-6-14(7-5-2)16-12(3)13-8-10-15-11-9-13/h8-12,14,16H,4-7H2,1-3H3/t12-/m1/s1
InChIKeyGRMVHIZYTQUUET-GFCCVEGCSA-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

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
CID 103520520
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 104866879
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine?
The IUPAC name of N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine (CID 28644656) is N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine?
The canonical SMILES for N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine is CCCC(CCC)N[C@H](C)c1ccncc1.
What is the InChIKey of N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine?
The InChIKey is GRMVHIZYTQUUET-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-14(7-5-2)16-12(3)13-8-10-15-11-9-13/h8-12,14,16H,4-7H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine?
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-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-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine is sourced from PubChem (CID 28644656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).