3-methoxypropylcyanamide;2-methylprop-1-ene

C9H18N2O — CID 172814831

IUPAC3-methoxypropylcyanamide;2-methylprop-1-ene
SMILESC=C(C)C.COCCCNC#N
InChIInChI=1S/C5H10N2O.C4H8/c1-8-4-2-3-7-5-6;1-4(2)3/h7H,2-4H2,1H3;1H2,2-3H3
InChIKeySRCKAPDLNGLNNY-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.68
Rot. Bonds4

About 3-methoxypropylcyanamide;2-methylprop-1-ene

3-methoxypropylcyanamide;2-methylprop-1-ene (PubChem CID 172814831) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methoxypropylcyanamide;2-methylprop-1-ene.

Molecular Properties

Compound Name3-methoxypropylcyanamide;2-methylprop-1-ene
PubChem CID172814831
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methoxypropylcyanamide;2-methylprop-1-ene
SMILESC=C(C)C.COCCCNC#N
InChIInChI=1S/C5H10N2O.C4H8/c1-8-4-2-3-7-5-6;1-4(2)3/h7H,2-4H2,1H3;1H2,2-3H3
InChIKeySRCKAPDLNGLNNY-UHFFFAOYSA-N
XLogP1.68
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-Methoxypropyl)(2-methylprop-2-en-1-yl)amine
CID 60684420
N'-(3-methoxypropyl)-N,N'-dimethylpropane-1,3-diamine;2-methylprop-1-ene;molecular hydrogen
CID 145385314
3-(2-Methylprop-1-enoxy)propylcyanamide
CID 177727711
N-(3-ethoxypropyl)-2-methylprop-2-en-1-amine
CID 60689898
3-methoxy-2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 62331899
2-methyl-N-(3-propoxypropyl)prop-2-en-1-amine
CID 82943889
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070470
N-(3-methoxypropyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070473

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropylcyanamide;2-methylprop-1-ene?
The IUPAC name of 3-methoxypropylcyanamide;2-methylprop-1-ene (CID 172814831) is 3-methoxypropylcyanamide;2-methylprop-1-ene.
What is the SMILES notation for 3-methoxypropylcyanamide;2-methylprop-1-ene?
The canonical SMILES for 3-methoxypropylcyanamide;2-methylprop-1-ene is C=C(C)C.COCCCNC#N.
What is the InChIKey of 3-methoxypropylcyanamide;2-methylprop-1-ene?
The InChIKey is SRCKAPDLNGLNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C4H8/c1-8-4-2-3-7-5-6;1-4(2)3/h7H,2-4H2,1H3;1H2,2-3H3.
What are the key properties of 3-methoxypropylcyanamide;2-methylprop-1-ene?
3-methoxypropylcyanamide;2-methylprop-1-ene has a molecular weight of 170.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropylcyanamide;2-methylprop-1-ene is sourced from PubChem (CID 172814831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).