(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane

C8H21N3 — CID 145068547

IUPAC(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane
SMILESC/C(=C/N)N(N)C(C)C.CC
InChIInChI=1S/C6H15N3.C2H6/c1-5(2)9(8)6(3)4-7;1-2/h4-5H,7-8H2,1-3H3;1-2H3/b6-4-;
InChIKeyLJKZQQGKESJGGC-YHSAGPEESA-N
MW159.28 g/mol
LogP1.42
Rot. Bonds2

About (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane

(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane (PubChem CID 145068547) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane
PubChem CID145068547
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane
SMILESC/C(=C/N)N(N)C(C)C.CC
InChIInChI=1S/C6H15N3.C2H6/c1-5(2)9(8)6(3)4-7;1-2/h4-5H,7-8H2,1-3H3;1-2H3/b6-4-;
InChIKeyLJKZQQGKESJGGC-YHSAGPEESA-N
XLogP1.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
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)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane?
The IUPAC name of (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane (CID 145068547) is (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane?
The canonical SMILES for (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane is C/C(=C/N)N(N)C(C)C.CC.
What is the InChIKey of (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane?
The InChIKey is LJKZQQGKESJGGC-YHSAGPEESA-N. The full InChI is InChI=1S/C6H15N3.C2H6/c1-5(2)9(8)6(3)4-7;1-2/h4-5H,7-8H2,1-3H3;1-2H3/b6-4-;.
What are the key properties of (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane?
(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane has a molecular weight of 159.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane is sourced from PubChem (CID 145068547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).