(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine

C9H20N2O — CID 131992479

IUPAC(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine
SMILESCC/C=C(/CN)OCCCNC
InChIInChI=1S/C9H20N2O/c1-3-5-9(8-10)12-7-4-6-11-2/h5,11H,3-4,6-8,10H2,1-2H3/b9-5-
InChIKeyATZMRHDMLBOLDD-UITAMQMPSA-N
MW172.27 g/mol
LogP0.87
Rot. Bonds7

About (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine

(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine (PubChem CID 131992479) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine
PubChem CID131992479
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine
SMILESCC/C=C(/CN)OCCCNC
InChIInChI=1S/C9H20N2O/c1-3-5-9(8-10)12-7-4-6-11-2/h5,11H,3-4,6-8,10H2,1-2H3/b9-5-
InChIKeyATZMRHDMLBOLDD-UITAMQMPSA-N
XLogP0.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Pentoxy-1,2,3,6-tetrahydropyridine
CID 70542377
N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine
CID 102651560
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575
4-[3-(Methylamino)propoxy]-2-methylidenepent-3-en-1-amine
CID 123647646
2-Propylidene-1,4-oxazepane
CID 123910409
(Z)-N-methyl-2-[3-(methylamino)propoxy]pent-2-en-1-amine
CID 126663258
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
CID 126745797
N'-(3,4-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine
CID 144092105
4-Propan-2-yloxy-1,2,3,6-tetrahydropyridin-3-amine
CID 146580581
6-Methyl-4-propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 170577911
(Z)-4-(2-amino-3-methoxypropoxy)-N-ethylpent-3-en-1-amine
CID 173467066
(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine
CID 173467081

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
The IUPAC name of (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine (CID 131992479) is (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine.
What is the SMILES notation for (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
The canonical SMILES for (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine is CC/C=C(/CN)OCCCNC.
What is the InChIKey of (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
The InChIKey is ATZMRHDMLBOLDD-UITAMQMPSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-9(8-10)12-7-4-6-11-2/h5,11H,3-4,6-8,10H2,1-2H3/b9-5-.
What are the key properties of (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine?
(Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-(methylamino)propoxy]pent-2-en-1-amine is sourced from PubChem (CID 131992479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).