N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine

C13H26N2 — CID 123357012

IUPACN,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine
SMILESCC=CCC/N=C/CC(C(C)C)N(C)C
InChIInChI=1S/C13H26N2/c1-6-7-8-10-14-11-9-13(12(2)3)15(4)5/h6-7,11-13H,8-10H2,1-5H3/b7-6?,14-11+
InChIKeyCBCXUVZFGPGZOP-QEACRHRISA-N
MW210.36 g/mol
LogP3.00
Rot. Bonds7

About N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine

N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine (PubChem CID 123357012) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine
PubChem CID123357012
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine
SMILESCC=CCC/N=C/CC(C(C)C)N(C)C
InChIInChI=1S/C13H26N2/c1-6-7-8-10-14-11-9-13(12(2)3)15(4)5/h6-7,11-13H,8-10H2,1-5H3/b7-6?,14-11+
InChIKeyCBCXUVZFGPGZOP-QEACRHRISA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
1,3,7-Trimethyl-1-azoniacycloundeca-4,8,11-triene
CID 123271073
N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine
CID 123797413
2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine
CID 134594285
(4Z,8Z)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 140330903
(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine
CID 154973458
N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
CID 159044079
(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine
CID 166744674
(Z)-N-(3-ethyliminopropyl)-N-propan-2-ylhept-2-en-1-amine
CID 169846515
(Z,4R)-N-methyl-4-(1-propan-2-yl-1-propyl-3,6-dihydro-2H-pyridin-1-ium-2-yl)pent-2-en-1-imine
CID 174140483
2-methyl-N-[(Z,4R)-2,2,4-trimethylhept-5-en-3-yl]butan-1-imine
CID 174148404

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine?
The IUPAC name of N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine (CID 123357012) is N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine is CC=CCC/N=C/CC(C(C)C)N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine?
The InChIKey is CBCXUVZFGPGZOP-QEACRHRISA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-10-14-11-9-13(12(2)3)15(4)5/h6-7,11-13H,8-10H2,1-5H3/b7-6?,14-11+.
What are the key properties of N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine?
N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine is sourced from PubChem (CID 123357012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).