N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine

C14H23N — CID 129062498

IUPACN-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine
SMILESC=C/C=C(\CC)C1CC1N=C(CC)CC
InChIInChI=1S/C14H23N/c1-5-9-11(6-2)13-10-14(13)15-12(7-3)8-4/h5,9,13-14H,1,6-8,10H2,2-4H3/b11-9+
InChIKeyAXMYXUNDHGSUEW-PKNBQFBNSA-N
MW205.34 g/mol
LogP4.16
Rot. Bonds6

About N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine

N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine (PubChem CID 129062498) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine.

Molecular Properties

Compound NameN-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine
PubChem CID129062498
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine
SMILESC=C/C=C(\CC)C1CC1N=C(CC)CC
InChIInChI=1S/C14H23N/c1-5-9-11(6-2)13-10-14(13)15-12(7-3)8-4/h5,9,13-14H,1,6-8,10H2,2-4H3/b11-9+
InChIKeyAXMYXUNDHGSUEW-PKNBQFBNSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine?
The IUPAC name of N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine (CID 129062498) is N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine.
What is the SMILES notation for N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine?
The canonical SMILES for N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine is C=C/C=C(\CC)C1CC1N=C(CC)CC.
What is the InChIKey of N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine?
The InChIKey is AXMYXUNDHGSUEW-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H23N/c1-5-9-11(6-2)13-10-14(13)15-12(7-3)8-4/h5,9,13-14H,1,6-8,10H2,2-4H3/b11-9+.
What are the key properties of N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine?
N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine has a molecular weight of 205.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3E)-hexa-3,5-dien-3-yl]cyclopropyl]pentan-3-imine is sourced from PubChem (CID 129062498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).