N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine

C12H18N2 — CID 167361066

IUPACN-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
SMILESCC(C)(C)NC1CC1c1cccnc1
InChIInChI=1S/C12H18N2/c1-12(2,3)14-11-7-10(11)9-5-4-6-13-8-9/h4-6,8,10-11,14H,7H2,1-3H3
InChIKeyZNUQMZRFWHNZIR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.33
Rot. Bonds2

About N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine

N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine (PubChem CID 167361066) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
PubChem CID167361066
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
SMILESCC(C)(C)NC1CC1c1cccnc1
InChIInChI=1S/C12H18N2/c1-12(2,3)14-11-7-10(11)9-5-4-6-13-8-9/h4-6,8,10-11,14H,7H2,1-3H3
InChIKeyZNUQMZRFWHNZIR-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
CID 71522236
3-(2-bromocyclopropyl)pyridine
CID 130539890
trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
CID 130430329
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
CID 167340168
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-(2-methylcyclobutyl)pyridine
CID 174716389
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
dimethyl-phenyl-[(1S,2R)-2-pyridin-3-ylcyclopropyl]silane
CID 134966228

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine?
The IUPAC name of N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine (CID 167361066) is N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine is CC(C)(C)NC1CC1c1cccnc1.
What is the InChIKey of N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine?
The InChIKey is ZNUQMZRFWHNZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2,3)14-11-7-10(11)9-5-4-6-13-8-9/h4-6,8,10-11,14H,7H2,1-3H3.
What are the key properties of N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine?
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine is sourced from PubChem (CID 167361066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).