N-pent-4-en-2-ylmethanimine

C6H11N — CID 123777591

IUPACN-pent-4-en-2-ylmethanimine
SMILESC=CCC(C)N=C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4,6H,1,3,5H2,2H3
InChIKeyCRDMHJWEGRBFHX-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds3

About N-pent-4-en-2-ylmethanimine

N-pent-4-en-2-ylmethanimine (PubChem CID 123777591) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-pent-4-en-2-ylmethanimine.

Molecular Properties

Compound NameN-pent-4-en-2-ylmethanimine
PubChem CID123777591
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-pent-4-en-2-ylmethanimine
SMILESC=CCC(C)N=C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4,6H,1,3,5H2,2H3
InChIKeyCRDMHJWEGRBFHX-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
N-[4-(methylideneamino)pentan-2-yl]methanimine
CID 20761828
4-propan-2-ylhepta-1,6-diene
CID 14140894
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine
CID 142059017
but-1-ene;4-methylpent-1-ene
CID 23001909
potassium pent-4-en-2-olate
CID 143030421
azane;pent-4-en-2-ol
CID 22149561
3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
CID 23092200
(E)-N-pent-4-en-2-yloxypropan-1-imine
CID 173295530
ethanol;4-methylpent-1-ene
CID 141289447

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-ylmethanimine?
The IUPAC name of N-pent-4-en-2-ylmethanimine (CID 123777591) is N-pent-4-en-2-ylmethanimine.
What is the SMILES notation for N-pent-4-en-2-ylmethanimine?
The canonical SMILES for N-pent-4-en-2-ylmethanimine is C=CCC(C)N=C.
What is the InChIKey of N-pent-4-en-2-ylmethanimine?
The InChIKey is CRDMHJWEGRBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-6(2)7-3/h4,6H,1,3,5H2,2H3.
What are the key properties of N-pent-4-en-2-ylmethanimine?
N-pent-4-en-2-ylmethanimine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-ylmethanimine is sourced from PubChem (CID 123777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).