N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine

C11H23NO — CID 114470739

IUPACN-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
SMILESC=C(C)CCOCCCCCNC
InChIInChI=1S/C11H23NO/c1-11(2)7-10-13-9-6-4-5-8-12-3/h12H,1,4-10H2,2-3H3
InChIKeyLAFJKBKMPWOVGK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds9

About N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine

N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine (PubChem CID 114470739) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
PubChem CID114470739
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
SMILESC=C(C)CCOCCCCCNC
InChIInChI=1S/C11H23NO/c1-11(2)7-10-13-9-6-4-5-8-12-3/h12H,1,4-10H2,2-3H3
InChIKeyLAFJKBKMPWOVGK-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine?
The IUPAC name of N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine (CID 114470739) is N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine?
The canonical SMILES for N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine is C=C(C)CCOCCCCCNC.
What is the InChIKey of N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine?
The InChIKey is LAFJKBKMPWOVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2)7-10-13-9-6-4-5-8-12-3/h12H,1,4-10H2,2-3H3.
What are the key properties of N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine?
N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine is sourced from PubChem (CID 114470739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).