(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine

C7H17N3 — CID 126545546

IUPAC(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine
SMILESC/C(N)=C/N(N)C(C)(C)C
InChIInChI=1S/C7H17N3/c1-6(8)5-10(9)7(2,3)4/h5H,8-9H2,1-4H3/b6-5-
InChIKeyKMMYUNPKKWHMRL-WAYWQWQTSA-N
MW143.23 g/mol
LogP0.78
Rot. Bonds1

About (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine

(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine (PubChem CID 126545546) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine
PubChem CID126545546
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine
SMILESC/C(N)=C/N(N)C(C)(C)C
InChIInChI=1S/C7H17N3/c1-6(8)5-10(9)7(2,3)4/h5H,8-9H2,1-4H3/b6-5-
InChIKeyKMMYUNPKKWHMRL-WAYWQWQTSA-N
XLogP0.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.78
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(tert-butyl)amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine (CID 126545546) is (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine is C/C(N)=C/N(N)C(C)(C)C.
What is the InChIKey of (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine?
The InChIKey is KMMYUNPKKWHMRL-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(8)5-10(9)7(2,3)4/h5H,8-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine?
(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine is sourced from PubChem (CID 126545546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).