1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine

C8H18N2O — CID 114396652

IUPAC1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine
SMILESCON(C)CCC(N)C1CC1
InChIInChI=1S/C8H18N2O/c1-10(11-2)6-5-8(9)7-3-4-7/h7-8H,3-6,9H2,1-2H3
InChIKeyOASWUAKOUUIHFL-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.61
Rot. Bonds5

About 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine

1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine (PubChem CID 114396652) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine
PubChem CID114396652
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine
SMILESCON(C)CCC(N)C1CC1
InChIInChI=1S/C8H18N2O/c1-10(11-2)6-5-8(9)7-3-4-7/h7-8H,3-6,9H2,1-2H3
InChIKeyOASWUAKOUUIHFL-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine
CID 115346071
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
CID 69456061
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
1-cyclohexyl-4-methoxypentan-1-amine
CID 105079909
2-cyclohexyl-N-methoxy-N-methylethanamine
CID 118335784
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine (CID 114396652) is 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine is CON(C)CCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine?
The InChIKey is OASWUAKOUUIHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(11-2)6-5-8(9)7-3-4-7/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine?
1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-methoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 114396652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).