1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine

C11H22N2O — CID 80559624

IUPAC1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
SMILESNC1CC(NCCCOCC2CC2)C1
InChIInChI=1S/C11H22N2O/c12-10-6-11(7-10)13-4-1-5-14-8-9-2-3-9/h9-11,13H,1-8,12H2
InChIKeyATDUEVJOWFUDIV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.88
Rot. Bonds7

About 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine

1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine (PubChem CID 80559624) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
PubChem CID80559624
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
SMILESNC1CC(NCCCOCC2CC2)C1
InChIInChI=1S/C11H22N2O/c12-10-6-11(7-10)13-4-1-5-14-8-9-2-3-9/h9-11,13H,1-8,12H2
InChIKeyATDUEVJOWFUDIV-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
N-[3-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703150
N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43081894
N-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328
benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392919
1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
CID 79458917
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
CID 103776355

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine (CID 80559624) is 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine is NC1CC(NCCCOCC2CC2)C1.
What is the InChIKey of 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine?
The InChIKey is ATDUEVJOWFUDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-6-11(7-10)13-4-1-5-14-8-9-2-3-9/h9-11,13H,1-8,12H2.
What are the key properties of 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine?
1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80559624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).