(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C14H20N4 — CID 81405734

IUPAC(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCCCn1cncc1CN[C@@H](C)c1ccncc1
InChIInChI=1S/C14H20N4/c1-3-8-18-11-16-9-14(18)10-17-12(2)13-4-6-15-7-5-13/h4-7,9,11-12,17H,3,8,10H2,1-2H3/t12-/m0/s1
InChIKeyZTKPYZQPABNWED-LBPRGKRZSA-N
MW244.34 g/mol
LogP2.54
Rot. Bonds6

About (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81405734) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81405734
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCCCn1cncc1CN[C@@H](C)c1ccncc1
InChIInChI=1S/C14H20N4/c1-3-8-18-11-16-9-14(18)10-17-12(2)13-4-6-15-7-5-13/h4-7,9,11-12,17H,3,8,10H2,1-2H3/t12-/m0/s1
InChIKeyZTKPYZQPABNWED-LBPRGKRZSA-N
XLogP2.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131133
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 81405734) is (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine is CCCn1cncc1CN[C@@H](C)c1ccncc1.
What is the InChIKey of (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is ZTKPYZQPABNWED-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-8-18-11-16-9-14(18)10-17-12(2)13-4-6-15-7-5-13/h4-7,9,11-12,17H,3,8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).