N,4-dimethyl-1-propoxypent-4-en-2-amine

C10H21NO — CID 79177386

IUPACN,4-dimethyl-1-propoxypent-4-en-2-amine
SMILESC=C(C)CC(COCCC)NC
InChIInChI=1S/C10H21NO/c1-5-6-12-8-10(11-4)7-9(2)3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyRCNDNCMIKRSTOA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About N,4-dimethyl-1-propoxypent-4-en-2-amine

N,4-dimethyl-1-propoxypent-4-en-2-amine (PubChem CID 79177386) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,4-dimethyl-1-propoxypent-4-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-propoxypent-4-en-2-amine
PubChem CID79177386
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,4-dimethyl-1-propoxypent-4-en-2-amine
SMILESC=C(C)CC(COCCC)NC
InChIInChI=1S/C10H21NO/c1-5-6-12-8-10(11-4)7-9(2)3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyRCNDNCMIKRSTOA-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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,4-dimethyl-1-propoxypent-4-en-2-amine?
The IUPAC name of N,4-dimethyl-1-propoxypent-4-en-2-amine (CID 79177386) is N,4-dimethyl-1-propoxypent-4-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-propoxypent-4-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-propoxypent-4-en-2-amine is C=C(C)CC(COCCC)NC.
What is the InChIKey of N,4-dimethyl-1-propoxypent-4-en-2-amine?
The InChIKey is RCNDNCMIKRSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-12-8-10(11-4)7-9(2)3/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of N,4-dimethyl-1-propoxypent-4-en-2-amine?
N,4-dimethyl-1-propoxypent-4-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-propoxypent-4-en-2-amine is sourced from PubChem (CID 79177386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).