N-ethyl-N-methyl-3-methylidenehexan-1-amine

C10H21N — CID 126728192

IUPACN-ethyl-N-methyl-3-methylidenehexan-1-amine
SMILESC=C(CCC)CCN(C)CC
InChIInChI=1S/C10H21N/c1-5-7-10(3)8-9-11(4)6-2/h3,5-9H2,1-2,4H3
InChIKeyYQCDBUHWHAJHKR-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds6

About N-ethyl-N-methyl-3-methylidenehexan-1-amine

N-ethyl-N-methyl-3-methylidenehexan-1-amine (PubChem CID 126728192) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-methylidenehexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-methylidenehexan-1-amine
PubChem CID126728192
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-ethyl-N-methyl-3-methylidenehexan-1-amine
SMILESC=C(CCC)CCN(C)CC
InChIInChI=1S/C10H21N/c1-5-7-10(3)8-9-11(4)6-2/h3,5-9H2,1-2,4H3
InChIKeyYQCDBUHWHAJHKR-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
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-N-methyl-3-methylidenehexan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-methylidenehexan-1-amine (CID 126728192) is N-ethyl-N-methyl-3-methylidenehexan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-methylidenehexan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-methylidenehexan-1-amine is C=C(CCC)CCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-3-methylidenehexan-1-amine?
The InChIKey is YQCDBUHWHAJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-7-10(3)8-9-11(4)6-2/h3,5-9H2,1-2,4H3.
What are the key properties of N-ethyl-N-methyl-3-methylidenehexan-1-amine?
N-ethyl-N-methyl-3-methylidenehexan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-methylidenehexan-1-amine is sourced from PubChem (CID 126728192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).