(Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine

C10H21NO — CID 139322716

IUPAC(Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine
SMILESCCCO/C(=C\N)C(C)C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-12-10(7-11)9(4)8(2)3/h7-9H,5-6,11H2,1-4H3/b10-7-
InChIKeyJKQUPEPHRGGOFV-YFHOEESVSA-N
MW171.28 g/mol
LogP2.51
Rot. Bonds5

About (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine

(Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine (PubChem CID 139322716) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine
PubChem CID139322716
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine
SMILESCCCO/C(=C\N)C(C)C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-12-10(7-11)9(4)8(2)3/h7-9H,5-6,11H2,1-4H3/b10-7-
InChIKeyJKQUPEPHRGGOFV-YFHOEESVSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine?
The IUPAC name of (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine (CID 139322716) is (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine.
What is the SMILES notation for (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine?
The canonical SMILES for (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine is CCCO/C(=C\N)C(C)C(C)C.
What is the InChIKey of (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine?
The InChIKey is JKQUPEPHRGGOFV-YFHOEESVSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-12-10(7-11)9(4)8(2)3/h7-9H,5-6,11H2,1-4H3/b10-7-.
What are the key properties of (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine?
(Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethyl-2-propoxypent-1-en-1-amine is sourced from PubChem (CID 139322716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).