N,N-diethyl-3-methylideneheptan-1-amine

C12H25N — CID 134980588

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

About N,N-diethyl-3-methylideneheptan-1-amine

N,N-diethyl-3-methylideneheptan-1-amine (PubChem CID 134980588) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,N-diethyl-3-methylideneheptan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methylideneheptan-1-amine
PubChem CID134980588
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,N-diethyl-3-methylideneheptan-1-amine
SMILESC=C(CCCC)CCN(CC)CC
InChIInChI=1S/C12H25N/c1-5-8-9-12(4)10-11-13(6-2)7-3/h4-11H2,1-3H3
InChIKeyKIIYQIOYUWOEIN-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'}

Analyze N,N-diethyl-3-methylideneheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methylidene-N-propylhexan-1-amine
CID 167115733
N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine
CID 139554732
1-(diethylamino)heptan-3-one
CID 21485652
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192
CID 101454791
CID 101454791
19-methylideneheptatriacontane;titanium
CID 174477367
3,6,9-trimethylidenetridecan-1-amine
CID 167182420
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
4-methylidenetricosane
CID 139983205

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylideneheptan-1-amine?
The IUPAC name of N,N-diethyl-3-methylideneheptan-1-amine (CID 134980588) is N,N-diethyl-3-methylideneheptan-1-amine.
What is the SMILES notation for N,N-diethyl-3-methylideneheptan-1-amine?
The canonical SMILES for N,N-diethyl-3-methylideneheptan-1-amine is C=C(CCCC)CCN(CC)CC.
What is the InChIKey of N,N-diethyl-3-methylideneheptan-1-amine?
The InChIKey is KIIYQIOYUWOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-9-12(4)10-11-13(6-2)7-3/h4-11H2,1-3H3.
What are the key properties of N,N-diethyl-3-methylideneheptan-1-amine?
N,N-diethyl-3-methylideneheptan-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,N-diethyl-3-methylideneheptan-1-amine is sourced from PubChem (CID 134980588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).