(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine

C7H17N3O — CID 171786537

IUPAC(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine
SMILESCOC/C(N)=C/N(N)C(C)C
InChIInChI=1S/C7H17N3O/c1-6(2)10(9)4-7(8)5-11-3/h4,6H,5,8-9H2,1-3H3/b7-4-
InChIKeyJMUOIXLOHHBUBQ-DAXSKMNVSA-N
MW159.23 g/mol
LogP0.02
Rot. Bonds4

About (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine

(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine (PubChem CID 171786537) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine
PubChem CID171786537
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine
SMILESCOC/C(N)=C/N(N)C(C)C
InChIInChI=1S/C7H17N3O/c1-6(2)10(9)4-7(8)5-11-3/h4,6H,5,8-9H2,1-3H3/b7-4-
InChIKeyJMUOIXLOHHBUBQ-DAXSKMNVSA-N
XLogP0.02
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-fluoroethyl)-3-methoxy-2-(2-methylhydrazinyl)prop-1-en-1-amine
CID 88911320
3-Ethyl-5-(methoxymethyl)-1,2-dihydrotriazole
CID 121390390
5-(methoxymethyl)-2,3-dimethyl-1H-triazole
CID 132149969
(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
CID 145256992
(Z)-1-[amino(pentyl)amino]-3-methoxyprop-1-en-2-amine
CID 156057156
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586106
(Z)-1-[amino(3-methoxypropyl)amino]-3-methoxyprop-1-en-2-amine;ethane
CID 164586117
(Z)-1-[amino(methyl)amino]-3-methoxy-N-methylprop-1-en-2-amine
CID 166913120
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine;ethane
CID 167461864
(Z)-1-[amino(2-methoxyethyl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 167461865
(Z)-1-[amino(methyl)amino]-3-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-amine
CID 169884635
(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 178050350

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine (CID 171786537) is (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine is COC/C(N)=C/N(N)C(C)C.
What is the InChIKey of (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine?
The InChIKey is JMUOIXLOHHBUBQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(2)10(9)4-7(8)5-11-3/h4,6H,5,8-9H2,1-3H3/b7-4-.
What are the key properties of (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine?
(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine has a molecular weight of 159.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine is sourced from PubChem (CID 171786537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).