(Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine

C9H21N3 — CID 139570703

IUPAC(Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine
SMILESCC(C)C/C(N)=C/N(N)C(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-9(10)6-12(11)8(3)4/h6-8H,5,10-11H2,1-4H3/b9-6-
InChIKeyMXGNREIBFIUGDL-TWGQIWQCSA-N
MW171.29 g/mol
LogP1.42
Rot. Bonds4

About (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine

(Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine (PubChem CID 139570703) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine
PubChem CID139570703
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine
SMILESCC(C)C/C(N)=C/N(N)C(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-9(10)6-12(11)8(3)4/h6-8H,5,10-11H2,1-4H3/b9-6-
InChIKeyMXGNREIBFIUGDL-TWGQIWQCSA-N
XLogP1.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine (CID 139570703) is (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine is CC(C)C/C(N)=C/N(N)C(C)C.
What is the InChIKey of (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine?
The InChIKey is MXGNREIBFIUGDL-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)5-9(10)6-12(11)8(3)4/h6-8H,5,10-11H2,1-4H3/b9-6-.
What are the key properties of (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine?
(Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine has a molecular weight of 171.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(propan-2-yl)amino]-4-methylpent-1-en-2-amine is sourced from PubChem (CID 139570703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).