N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine

C10H20ClNO — CID 66004138

IUPACN-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCC1CC(Cl)C1
InChIInChI=1S/C10H20ClNO/c1-2-13-5-3-4-12-8-9-6-10(11)7-9/h9-10,12H,2-8H2,1H3
InChIKeyNQQQPIIHBFEAJM-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.02
Rot. Bonds7

About N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine

N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine (PubChem CID 66004138) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine
PubChem CID66004138
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCC1CC(Cl)C1
InChIInChI=1S/C10H20ClNO/c1-2-13-5-3-4-12-8-9-6-10(11)7-9/h9-10,12H,2-8H2,1H3
InChIKeyNQQQPIIHBFEAJM-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine
CID 66007358
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
3-chloro-N-[(3-chlorocyclobutyl)methyl]propan-1-amine
CID 164662994
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
N-[(3-chlorocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106121284
N-(cyclohexylmethyl)-2-(3-ethoxypropylamino)acetamide
CID 3226695
N-[(3-chlorocyclohexyl)methyl]dodecan-1-amine
CID 106122733
4-[(2-ethoxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79531975
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-ethoxypropan-1-amine
CID 98118056
N-[(3-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 106121063

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine (CID 66004138) is N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is NQQQPIIHBFEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-13-5-3-4-12-8-9-6-10(11)7-9/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine?
N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 205.73 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 66004138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).