N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine

C11H19N — CID 91394560

IUPACN-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine
SMILESCC/C=N/C(C)=CC1(C)CC1C
InChIInChI=1S/C11H19N/c1-5-6-12-10(3)8-11(4)7-9(11)2/h6,8-9H,5,7H2,1-4H3/b10-8?,12-6+
InChIKeyBMHNQKBTHKLMHG-CDKDZXTESA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine

N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine (PubChem CID 91394560) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine
PubChem CID91394560
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine
SMILESCC/C=N/C(C)=CC1(C)CC1C
InChIInChI=1S/C11H19N/c1-5-6-12-10(3)8-11(4)7-9(11)2/h6,8-9H,5,7H2,1-4H3/b10-8?,12-6+
InChIKeyBMHNQKBTHKLMHG-CDKDZXTESA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-fluoro-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]prop-2-en-1-imine
CID 176962117
5-(3,3-dimethylbutyl)-3H-pyrrole
CID 58543330
3,3,4,4,6-Pentamethylpyridine
CID 67362875
5-(2-methylpentan-3-yl)-3H-pyrrole
CID 89727930
3,5-di(propan-2-yl)-3H-pyrrole
CID 89931994
(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
CID 91514458
4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine
CID 123416849
3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine
CID 123575679
(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
CID 126607025
6-Tert-butyl-3-propan-2-yl-3,4-dihydropyridine
CID 129103745
2,6,8-Trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
CID 135192356
N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine?
The IUPAC name of N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine (CID 91394560) is N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine.
What is the SMILES notation for N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine?
The canonical SMILES for N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine is CC/C=N/C(C)=CC1(C)CC1C.
What is the InChIKey of N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine?
The InChIKey is BMHNQKBTHKLMHG-CDKDZXTESA-N. The full InChI is InChI=1S/C11H19N/c1-5-6-12-10(3)8-11(4)7-9(11)2/h6,8-9H,5,7H2,1-4H3/b10-8?,12-6+.
What are the key properties of N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine?
N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine is sourced from PubChem (CID 91394560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).