(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

(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine
CID 171786537
N-carbamoyl-2-propan-2-yloxyacetamide
CID 112604296
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 112602687
N,N-dimethyl-3-propan-2-yloxyprop-1-en-2-amine
CID 165408355
ethyl 2-propan-2-yloxyacetate
CID 537908
1-propan-2-yloxybut-3-en-2-one
CID 105110955
1-(dimethylamino)-3-propan-2-yloxypropan-2-one
CID 79567997
4-amino-1-propan-2-yloxypentan-2-one
CID 116555847
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 103940460
N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide
CID 172989590
N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231
1-methylsulfonyl-3-propan-2-yloxypropan-2-one
CID 115785118

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).