N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine

C10H19NO — CID 155027659

IUPACN,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine
SMILESC=C(C)C(=C)OCCCN(C)C
InChIInChI=1S/C10H19NO/c1-9(2)10(3)12-8-6-7-11(4)5/h1,3,6-8H2,2,4-5H3
InChIKeyXWJGLVRSRUSGKU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds6

About N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine

N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine (PubChem CID 155027659) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine
PubChem CID155027659
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine
SMILESC=C(C)C(=C)OCCCN(C)C
InChIInChI=1S/C10H19NO/c1-9(2)10(3)12-8-6-7-11(4)5/h1,3,6-8H2,2,4-5H3
InChIKeyXWJGLVRSRUSGKU-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine (CID 155027659) is N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine is C=C(C)C(=C)OCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine?
The InChIKey is XWJGLVRSRUSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)10(3)12-8-6-7-11(4)5/h1,3,6-8H2,2,4-5H3.
What are the key properties of N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine?
N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylbuta-1,3-dien-2-yloxy)propan-1-amine is sourced from PubChem (CID 155027659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).