N-ethyl-3-methylidene-N-propylhexan-1-amine

C12H25N — CID 167115733

IUPACN-ethyl-3-methylidene-N-propylhexan-1-amine
SMILESC=C(CCC)CCN(CC)CCC
InChIInChI=1S/C12H25N/c1-5-8-12(4)9-11-13(7-3)10-6-2/h4-11H2,1-3H3
InChIKeyDWMXMXMBXWJSSF-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.46
Rot. Bonds8

About N-ethyl-3-methylidene-N-propylhexan-1-amine

N-ethyl-3-methylidene-N-propylhexan-1-amine (PubChem CID 167115733) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethyl-3-methylidene-N-propylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-N-propylhexan-1-amine
PubChem CID167115733
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethyl-3-methylidene-N-propylhexan-1-amine
SMILESC=C(CCC)CCN(CC)CCC
InChIInChI=1S/C12H25N/c1-5-8-12(4)9-11-13(7-3)10-6-2/h4-11H2,1-3H3
InChIKeyDWMXMXMBXWJSSF-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192
N,N-diethyl-3-methylideneheptan-1-amine
CID 134980588
4,7-dimethylidenedecane
CID 543440
N,N-dipropyl-3-(trimethylsilylmethyl)but-3-en-1-amine
CID 642577
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
N-ethyl-4-methoxy-N-propylpent-4-en-1-amine
CID 176937023
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
3-chloro-N-ethyl-2-methyl-N-propylbut-3-en-1-amine
CID 123222105
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidene-N-propylhexan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-N-propylhexan-1-amine (CID 167115733) is N-ethyl-3-methylidene-N-propylhexan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-N-propylhexan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-N-propylhexan-1-amine is C=C(CCC)CCN(CC)CCC.
What is the InChIKey of N-ethyl-3-methylidene-N-propylhexan-1-amine?
The InChIKey is DWMXMXMBXWJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-12(4)9-11-13(7-3)10-6-2/h4-11H2,1-3H3.
What are the key properties of N-ethyl-3-methylidene-N-propylhexan-1-amine?
N-ethyl-3-methylidene-N-propylhexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidene-N-propylhexan-1-amine is sourced from PubChem (CID 167115733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).