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

C9H21N3O — CID 178050350

IUPAC(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
SMILESCC(C)OC/C(N)=C/N(N)C(C)C
InChIInChI=1S/C9H21N3O/c1-7(2)12(11)5-9(10)6-13-8(3)4/h5,7-8H,6,10-11H2,1-4H3/b9-5-
InChIKeyNVOGARHJDYVTHH-UITAMQMPSA-N
MW187.29 g/mol
LogP0.80
Rot. Bonds5

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

(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine (PubChem CID 178050350) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
PubChem CID178050350
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
SMILESCC(C)OC/C(N)=C/N(N)C(C)C
InChIInChI=1S/C9H21N3O/c1-7(2)12(11)5-9(10)6-13-8(3)4/h5,7-8H,6,10-11H2,1-4H3/b9-5-
InChIKeyNVOGARHJDYVTHH-UITAMQMPSA-N
XLogP0.80
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.80
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

3-Ethyl-5-(propan-2-yloxymethyl)-1,2-dihydrotriazole
CID 142397408
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine;methoxyethane;prop-1-ene
CID 145160419
(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(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(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 170272509
(Z)-1-[amino(2-prop-2-enoxyethyl)amino]-3-methoxyprop-1-en-2-amine
CID 145160420
(Z)-1-[amino(ethyl)amino]-3-methoxyprop-1-en-2-amine
CID 145610871

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine (CID 178050350) is (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine is CC(C)OC/C(N)=C/N(N)C(C)C.
What is the InChIKey of (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine?
The InChIKey is NVOGARHJDYVTHH-UITAMQMPSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)12(11)5-9(10)6-13-8(3)4/h5,7-8H,6,10-11H2,1-4H3/b9-5-.
What are the key properties of (Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine?
(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine has a molecular weight of 187.29 g/mol, XLogP of 0.80, 5 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-propan-2-yloxyprop-1-en-2-amine is sourced from PubChem (CID 178050350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).