N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine

C14H25N3 — CID 113277940

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1ccnc(CN)c1
InChIInChI=1S/C14H25N3/c1-4-14(5-2,6-3)17-11-12-7-8-16-13(9-12)10-15/h7-9,17H,4-6,10-11,15H2,1-3H3
InChIKeyLUZVQYUXHGRMDO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.60
Rot. Bonds7

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine (PubChem CID 113277940) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine
PubChem CID113277940
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1ccnc(CN)c1
InChIInChI=1S/C14H25N3/c1-4-14(5-2,6-3)17-11-12-7-8-16-13(9-12)10-15/h7-9,17H,4-6,10-11,15H2,1-3H3
InChIKeyLUZVQYUXHGRMDO-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(pyridin-2-ylmethyl)pentan-3-amine
CID 65039361
2-chloro-4-[(3-ethylpentan-3-ylamino)methyl]aniline
CID 65040911
4-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 107865267
2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine
CID 136517017
2-chloro-5-[(3-ethylpentan-3-ylamino)methyl]aniline
CID 65041252
1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
CID 170890841
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881301
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
CID 114113993

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine (CID 113277940) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine is CCC(CC)(CC)NCc1ccnc(CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine?
The InChIKey is LUZVQYUXHGRMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-14(5-2,6-3)17-11-12-7-8-16-13(9-12)10-15/h7-9,17H,4-6,10-11,15H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpentan-3-amine is sourced from PubChem (CID 113277940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).