(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine

C10H20N2 — CID 174270836

IUPAC(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine
SMILESC/C=C(/C)C(C)NCC/C=N/C
InChIInChI=1S/C10H20N2/c1-5-9(2)10(3)12-8-6-7-11-4/h5,7,10,12H,6,8H2,1-4H3/b9-5-,11-7+
InChIKeyIWZYVBFIJSATSI-KGAZIEBHSA-N
MW168.28 g/mol
LogP2.02
Rot. Bonds5

About (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine

(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine (PubChem CID 174270836) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine
PubChem CID174270836
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine
SMILESC/C=C(/C)C(C)NCC/C=N/C
InChIInChI=1S/C10H20N2/c1-5-9(2)10(3)12-8-6-7-11-4/h5,7,10,12H,6,8H2,1-4H3/b9-5-,11-7+
InChIKeyIWZYVBFIJSATSI-KGAZIEBHSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine?
The IUPAC name of (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine (CID 174270836) is (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine.
What is the SMILES notation for (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine?
The canonical SMILES for (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine is C/C=C(/C)C(C)NCC/C=N/C.
What is the InChIKey of (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine?
The InChIKey is IWZYVBFIJSATSI-KGAZIEBHSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-9(2)10(3)12-8-6-7-11-4/h5,7,10,12H,6,8H2,1-4H3/b9-5-,11-7+.
What are the key properties of (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine?
(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine is sourced from PubChem (CID 174270836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).