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

C11H16N2 — CID 84767223

IUPAC1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine
SMILESCC(C)c1ccncc1C1(N)CC1
InChIInChI=1S/C11H16N2/c1-8(2)9-3-6-13-7-10(9)11(12)4-5-11/h3,6-8H,4-5,12H2,1-2H3
InChIKeyYAQOMKFYCBLRMQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.15
Rot. Bonds2

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

1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine (PubChem CID 84767223) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine
PubChem CID84767223
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine
SMILESCC(C)c1ccncc1C1(N)CC1
InChIInChI=1S/C11H16N2/c1-8(2)9-3-6-13-7-10(9)11(12)4-5-11/h3,6-8H,4-5,12H2,1-2H3
InChIKeyYAQOMKFYCBLRMQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine (CID 84767223) is 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine is CC(C)c1ccncc1C1(N)CC1.
What is the InChIKey of 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine?
The InChIKey is YAQOMKFYCBLRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-3-6-13-7-10(9)11(12)4-5-11/h3,6-8H,4-5,12H2,1-2H3.
What are the key properties of 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine?
1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 84767223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).