N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine

C11H24N2O — CID 107442643

IUPACN'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNOC1CCCC1
InChIInChI=1S/C11H24N2O/c1-9(2)10(7-12)8-13-14-11-5-3-4-6-11/h9-11,13H,3-8,12H2,1-2H3
InChIKeyMPXOXZCKYXIDBE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.68
Rot. Bonds6

About N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine

N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442643) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442643
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNOC1CCCC1
InChIInChI=1S/C11H24N2O/c1-9(2)10(7-12)8-13-14-11-5-3-4-6-11/h9-11,13H,3-8,12H2,1-2H3
InChIKeyMPXOXZCKYXIDBE-UHFFFAOYSA-N
XLogP1.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
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-cyclopentyloxy-2-methylpropan-1-amine
CID 83229850
(2S)-1-(cyclopentyloxyamino)propan-2-ol
CID 106932440
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
N-cyclopentyloxyethanamine
CID 59512196
N-cyclohexyloxyethanamine
CID 89167589
N'-cyclopentyloxypropane-1,3-diamine
CID 83228805
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
N-cyclopentyloxy-2-fluoroethanamine
CID 83228989
1-cyclopentyloxy-3-(cyclopentyloxyamino)propan-2-ol
CID 83228878
N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441997
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441949

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine (CID 107442643) is N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNOC1CCCC1.
What is the InChIKey of N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MPXOXZCKYXIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)10(7-12)8-13-14-11-5-3-4-6-11/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine?
N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).