N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine

C14H28N2 — CID 143316732

IUPACN,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine
SMILESCCN(CC)CC(C)C/C(C=C(C)C)=N/C
InChIInChI=1S/C14H28N2/c1-7-16(8-2)11-13(5)10-14(15-6)9-12(3)4/h9,13H,7-8,10-11H2,1-6H3/b15-14+
InChIKeyRWSRUYKZLQYLIR-CCEZHUSRSA-N
MW224.39 g/mol
LogP3.39
Rot. Bonds7

About N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine

N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine (PubChem CID 143316732) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine
PubChem CID143316732
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine
SMILESCCN(CC)CC(C)C/C(C=C(C)C)=N/C
InChIInChI=1S/C14H28N2/c1-7-16(8-2)11-13(5)10-14(15-6)9-12(3)4/h9,13H,7-8,10-11H2,1-6H3/b15-14+
InChIKeyRWSRUYKZLQYLIR-CCEZHUSRSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 14330046
N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630704
4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete
CID 91145943
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
CID 123481717
(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine
CID 130179315
7-Methyl-2,3,4,6,8,9-hexahydropyrido[4,3-b]azepine
CID 141946412
Ethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylpentyl)azanium
CID 142290217
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287
2-ethenyl-N,N-dimethyl-4-methyliminopentan-1-amine
CID 145467090
1,5-Dimethyl-3-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 145748395
(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine
CID 146429469
(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
CID 146568242

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine?
The IUPAC name of N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine (CID 143316732) is N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine.
What is the SMILES notation for N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine?
The canonical SMILES for N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine is CCN(CC)CC(C)C/C(C=C(C)C)=N/C.
What is the InChIKey of N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine?
The InChIKey is RWSRUYKZLQYLIR-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-16(8-2)11-13(5)10-14(15-6)9-12(3)4/h9,13H,7-8,10-11H2,1-6H3/b15-14+.
What are the key properties of N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine?
N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine is sourced from PubChem (CID 143316732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).