N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine

C10H21NO — CID 143953797

IUPACN,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine
SMILESC/C=C/OC(C)(CC)CCNC
InChIInChI=1S/C10H21NO/c1-5-9-12-10(3,6-2)7-8-11-4/h5,9,11H,6-8H2,1-4H3/b9-5+
InChIKeyWPMRCYPZMRJQGL-WEVVVXLNSA-N
MW171.28 g/mol
LogP2.31
Rot. Bonds6

About N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine

N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine (PubChem CID 143953797) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine
PubChem CID143953797
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine
SMILESC/C=C/OC(C)(CC)CCNC
InChIInChI=1S/C10H21NO/c1-5-9-12-10(3,6-2)7-8-11-4/h5,9,11H,6-8H2,1-4H3/b9-5+
InChIKeyWPMRCYPZMRJQGL-WEVVVXLNSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine
CID 163525100

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine?
The IUPAC name of N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine (CID 143953797) is N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine?
The canonical SMILES for N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine is C/C=C/OC(C)(CC)CCNC.
What is the InChIKey of N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine?
The InChIKey is WPMRCYPZMRJQGL-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9-12-10(3,6-2)7-8-11-4/h5,9,11H,6-8H2,1-4H3/b9-5+.
What are the key properties of N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine?
N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-[(E)-prop-1-enoxy]pentan-1-amine is sourced from PubChem (CID 143953797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).