N-methyl-4-methylidene-3-propylhexan-1-amine

C11H23N — CID 138747431

IUPACN-methyl-4-methylidene-3-propylhexan-1-amine
SMILESC=C(CC)C(CCC)CCNC
InChIInChI=1S/C11H23N/c1-5-7-11(8-9-12-4)10(3)6-2/h11-12H,3,5-9H2,1-2,4H3
InChIKeyCHJDAYGABFFJNS-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds7

About N-methyl-4-methylidene-3-propylhexan-1-amine

N-methyl-4-methylidene-3-propylhexan-1-amine (PubChem CID 138747431) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-methyl-4-methylidene-3-propylhexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylidene-3-propylhexan-1-amine
PubChem CID138747431
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-methyl-4-methylidene-3-propylhexan-1-amine
SMILESC=C(CC)C(CCC)CCNC
InChIInChI=1S/C11H23N/c1-5-7-11(8-9-12-4)10(3)6-2/h11-12H,3,5-9H2,1-2,4H3
InChIKeyCHJDAYGABFFJNS-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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-methyl-4-methylidene-3-propylhexan-1-amine?
The IUPAC name of N-methyl-4-methylidene-3-propylhexan-1-amine (CID 138747431) is N-methyl-4-methylidene-3-propylhexan-1-amine.
What is the SMILES notation for N-methyl-4-methylidene-3-propylhexan-1-amine?
The canonical SMILES for N-methyl-4-methylidene-3-propylhexan-1-amine is C=C(CC)C(CCC)CCNC.
What is the InChIKey of N-methyl-4-methylidene-3-propylhexan-1-amine?
The InChIKey is CHJDAYGABFFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-11(8-9-12-4)10(3)6-2/h11-12H,3,5-9H2,1-2,4H3.
What are the key properties of N-methyl-4-methylidene-3-propylhexan-1-amine?
N-methyl-4-methylidene-3-propylhexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidene-3-propylhexan-1-amine is sourced from PubChem (CID 138747431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).