3-(4-propan-2-yl-2-pyridinyl)propan-1-amine

C11H18N2 — CID 115004203

IUPAC3-(4-propan-2-yl-2-pyridinyl)propan-1-amine
SMILESCC(C)c1ccnc(CCCN)c1
InChIInChI=1S/C11H18N2/c1-9(2)10-5-7-13-11(8-10)4-3-6-12/h5,7-9H,3-4,6,12H2,1-2H3
InChIKeyHQLXCHPSTCKEIY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine

3-(4-propan-2-yl-2-pyridinyl)propan-1-amine (PubChem CID 115004203) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-yl-2-pyridinyl)propan-1-amine
PubChem CID115004203
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(4-propan-2-yl-2-pyridinyl)propan-1-amine
SMILESCC(C)c1ccnc(CCCN)c1
InChIInChI=1S/C11H18N2/c1-9(2)10-5-7-13-11(8-10)4-3-6-12/h5,7-9H,3-4,6,12H2,1-2H3
InChIKeyHQLXCHPSTCKEIY-UHFFFAOYSA-N
XLogP2.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130661
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130756
3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one
CID 90087197
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
[4-(1-aminopropan-2-yl)-2-pyridinyl]methanol
CID 84765095
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
(2-propyl-4-pyridinyl)methanamine;dihydrochloride
CID 122163330
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
CID 166491542
CID 166491542
2-ethyl-4-(3-methylbutan-2-yl)pyridine
CID 118301752

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine?
The IUPAC name of 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine (CID 115004203) is 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine is CC(C)c1ccnc(CCCN)c1.
What is the InChIKey of 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine?
The InChIKey is HQLXCHPSTCKEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)10-5-7-13-11(8-10)4-3-6-12/h5,7-9H,3-4,6,12H2,1-2H3.
What are the key properties of 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine?
3-(4-propan-2-yl-2-pyridinyl)propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115004203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).