4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine

C12H21N3O — CID 69247459

IUPAC4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine
SMILESCC(C)OCCCNc1cc(CN)ccn1
InChIInChI=1S/C12H21N3O/c1-10(2)16-7-3-5-14-12-8-11(9-13)4-6-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15)
InChIKeyKMZDEFFZMMMRHM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds7

About 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine

4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine (PubChem CID 69247459) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine
PubChem CID69247459
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine
SMILESCC(C)OCCCNc1cc(CN)ccn1
InChIInChI=1S/C12H21N3O/c1-10(2)16-7-3-5-14-12-8-11(9-13)4-6-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15)
InChIKeyKMZDEFFZMMMRHM-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
7-fluoro-N-(3-propan-2-yloxypropyl)quinolin-4-amine
CID 133381963
4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 133381954
4-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136901
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012863
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine (CID 69247459) is 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine is CC(C)OCCCNc1cc(CN)ccn1.
What is the InChIKey of 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine?
The InChIKey is KMZDEFFZMMMRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)16-7-3-5-14-12-8-11(9-13)4-6-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine?
4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine is sourced from PubChem (CID 69247459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).