N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene

C15H30N2 — CID 142994752

IUPACN,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene
SMILESC=CC.CC/C=C(C)/N=C(\CCCC)N(C)C
InChIInChI=1S/C12H24N2.C3H6/c1-6-8-10-12(14(4)5)13-11(3)9-7-2;1-3-2/h9H,6-8,10H2,1-5H3;3H,1H2,2H3/b11-9+,13-12+;
InChIKeyZZMYPCAEVMOWLK-RTCSUJOXSA-N
MW238.42 g/mol
LogP4.64
Rot. Bonds5

About N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene

N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene (PubChem CID 142994752) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene
PubChem CID142994752
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene
SMILESC=CC.CC/C=C(C)/N=C(\CCCC)N(C)C
InChIInChI=1S/C12H24N2.C3H6/c1-6-8-10-12(14(4)5)13-11(3)9-7-2;1-3-2/h9H,6-8,10H2,1-5H3;3H,1H2,2H3/b11-9+,13-12+;
InChIKeyZZMYPCAEVMOWLK-RTCSUJOXSA-N
XLogP4.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide
CID 130180486
N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide
CID 166814571
N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide
CID 142994753
N-[(Z)-pent-2-en-3-yl]-1-piperidin-1-ylethanimine
CID 143696033

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene?
The IUPAC name of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene (CID 142994752) is N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene.
What is the SMILES notation for N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene?
The canonical SMILES for N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene is C=CC.CC/C=C(C)/N=C(\CCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene?
The InChIKey is ZZMYPCAEVMOWLK-RTCSUJOXSA-N. The full InChI is InChI=1S/C12H24N2.C3H6/c1-6-8-10-12(14(4)5)13-11(3)9-7-2;1-3-2/h9H,6-8,10H2,1-5H3;3H,1H2,2H3/b11-9+,13-12+;.
What are the key properties of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene?
N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene has a molecular weight of 238.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide;prop-1-ene is sourced from PubChem (CID 142994752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).