N-ethyl-5-methylideneheptan-3-amine

C10H21N — CID 66044591

IUPACN-ethyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CC)NCC
InChIInChI=1S/C10H21N/c1-5-9(4)8-10(6-2)11-7-3/h10-11H,4-8H2,1-3H3
InChIKeyXZVDTBAMODTTRO-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.73
Rot. Bonds6

About N-ethyl-5-methylideneheptan-3-amine

N-ethyl-5-methylideneheptan-3-amine (PubChem CID 66044591) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-ethyl-5-methylideneheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methylideneheptan-3-amine
PubChem CID66044591
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-ethyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CC)NCC
InChIInChI=1S/C10H21N/c1-5-9(4)8-10(6-2)11-7-3/h10-11H,4-8H2,1-3H3
InChIKeyXZVDTBAMODTTRO-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylideneheptan-3-amine?
The IUPAC name of N-ethyl-5-methylideneheptan-3-amine (CID 66044591) is N-ethyl-5-methylideneheptan-3-amine.
What is the SMILES notation for N-ethyl-5-methylideneheptan-3-amine?
The canonical SMILES for N-ethyl-5-methylideneheptan-3-amine is C=C(CC)CC(CC)NCC.
What is the InChIKey of N-ethyl-5-methylideneheptan-3-amine?
The InChIKey is XZVDTBAMODTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-9(4)8-10(6-2)11-7-3/h10-11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-5-methylideneheptan-3-amine?
N-ethyl-5-methylideneheptan-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylideneheptan-3-amine is sourced from PubChem (CID 66044591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).