N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine

C11H19N — CID 123592884

IUPACN-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\CCC1CC1)C(C)C
InChIInChI=1S/C11H19N/c1-4-11(9(2)3)12-8-7-10-5-6-10/h4,9-10H,1,5-8H2,2-3H3/b12-11+
InChIKeyNBGFZMMSCACFOS-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds5

About N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine

N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine (PubChem CID 123592884) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
PubChem CID123592884
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\CCC1CC1)C(C)C
InChIInChI=1S/C11H19N/c1-4-11(9(2)3)12-8-7-10-5-6-10/h4,9-10H,1,5-8H2,2-3H3/b12-11+
InChIKeyNBGFZMMSCACFOS-VAWYXSNFSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
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-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
N-(cyclopropylmethyl)but-3-en-2-imine
CID 123524921
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
4-methyl-N-pentylhepta-1,6-dien-3-imine
CID 123951338
5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole
CID 130389361
1-cyclopropyl-N-methylprop-2-en-1-imine
CID 130440573
N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine
CID 155052675
7-Ethyl-2-propan-2-yl-1-azacycloocta-1,3,4-triene
CID 155416249
N-(2-cyclopropylprop-2-enyl)-3-methylbutan-2-imine
CID 170069009
1-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]prop-2-en-1-imine
CID 170721218
1-cyclopropyl-N-methylbuta-2,3-dien-1-imine
CID 166084214

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine?
The IUPAC name of N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine (CID 123592884) is N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine?
The canonical SMILES for N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine is C=C/C(=N\CCC1CC1)C(C)C.
What is the InChIKey of N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine?
The InChIKey is NBGFZMMSCACFOS-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-4-11(9(2)3)12-8-7-10-5-6-10/h4,9-10H,1,5-8H2,2-3H3/b12-11+.
What are the key properties of N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine?
N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine is sourced from PubChem (CID 123592884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).