N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine

C15H27N3 — CID 55128300

IUPACN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1cccnc1CN)C(C)C
InChIInChI=1S/C15H27N3/c1-4-5-6-10-18(13(2)3)12-14-8-7-9-17-15(14)11-16/h7-9,13H,4-6,10-12,16H2,1-3H3
InChIKeyCHLBFBUXOLXRFI-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.94
Rot. Bonds8

About N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine

N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 55128300) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID55128300
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1cccnc1CN)C(C)C
InChIInChI=1S/C15H27N3/c1-4-5-6-10-18(13(2)3)12-14-8-7-9-17-15(14)11-16/h7-9,13H,4-6,10-12,16H2,1-3H3
InChIKeyCHLBFBUXOLXRFI-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 114478711
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62895513
2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
CID 55079155
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
N-ethyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 79243292

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine (CID 55128300) is N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1cccnc1CN)C(C)C.
What is the InChIKey of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is CHLBFBUXOLXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-6-10-18(13(2)3)12-14-8-7-9-17-15(14)11-16/h7-9,13H,4-6,10-12,16H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 55128300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).