1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol

C7H16N2O — CID 122692018

IUPAC1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol
SMILESC/C(=C/NCC(C)O)CN
InChIInChI=1S/C7H16N2O/c1-6(3-8)4-9-5-7(2)10/h4,7,9-10H,3,5,8H2,1-2H3/b6-4-
InChIKeyMXSXQBLYSQXGLA-XQRVVYSFSA-N
MW144.22 g/mol
LogP-0.18
Rot. Bonds4

About 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol

1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol (PubChem CID 122692018) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol
PubChem CID122692018
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol
SMILESC/C(=C/NCC(C)O)CN
InChIInChI=1S/C7H16N2O/c1-6(3-8)4-9-5-7(2)10/h4,7,9-10H,3,5,8H2,1-2H3/b6-4-
InChIKeyMXSXQBLYSQXGLA-XQRVVYSFSA-N
XLogP-0.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol?
The IUPAC name of 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol (CID 122692018) is 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol?
The canonical SMILES for 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol is C/C(=C/NCC(C)O)CN.
What is the InChIKey of 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol?
The InChIKey is MXSXQBLYSQXGLA-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(3-8)4-9-5-7(2)10/h4,7,9-10H,3,5,8H2,1-2H3/b6-4-.
What are the key properties of 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol?
1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-3-amino-2-methylprop-1-enyl]amino]propan-2-ol is sourced from PubChem (CID 122692018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).