N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine

C11H22N2 — CID 54544812

IUPACN,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine
SMILESCCC=C(C)/C=N/CCCN(C)C
InChIInChI=1S/C11H22N2/c1-5-7-11(2)10-12-8-6-9-13(3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7?,12-10+
InChIKeyZFTZZMHARAIHHY-CVKYGVBHSA-N
MW182.31 g/mol
LogP2.37
Rot. Bonds6

About N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine

N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine (PubChem CID 54544812) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine
PubChem CID54544812
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine
SMILESCCC=C(C)/C=N/CCCN(C)C
InChIInChI=1S/C11H22N2/c1-5-7-11(2)10-12-8-6-9-13(3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7?,12-10+
InChIKeyZFTZZMHARAIHHY-CVKYGVBHSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.37
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'}

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Related Compounds

N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
2-(Dimethylazaniumylidenemethyl)but-2-enylidene-dimethylazanium
CID 18717956
N,N-dimethyl-2-(2H-pyrrol-4-yl)ethanamine
CID 58398140
(Z)-N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine
CID 66634682
1-(2,3-dihydropyridin-5-yl)-N,N-dimethylmethanamine
CID 68216038
N-methyl-2-(1-methylazetidin-3-yl)but-2-en-1-imine
CID 77156446
2-ethyl-N-methylhex-2-en-1-imine
CID 86125258
(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186
1,5-Dimethyl-2,3-dihydropyridin-1-ium
CID 89785843
5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine
CID 90893148
2-ethyl-N-methylpent-2-en-1-imine
CID 91245510
(Z)-2-ethyl-N-methylpent-2-en-1-imine
CID 122651462

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine (CID 54544812) is N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine is CCC=C(C)/C=N/CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine?
The InChIKey is ZFTZZMHARAIHHY-CVKYGVBHSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-11(2)10-12-8-6-9-13(3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7?,12-10+.
What are the key properties of N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine?
N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpent-2-enylideneamino)propan-1-amine is sourced from PubChem (CID 54544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).