N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine

C13H27NO — CID 106456993

IUPACN-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
SMILESCCCOCCC1(CNC(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-4-9-15-10-8-13(6-5-7-13)11-14-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyROKOIDHLDJHMST-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds8

About N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 106456993) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID106456993
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
SMILESCCCOCCC1(CNC(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-4-9-15-10-8-13(6-5-7-13)11-14-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyROKOIDHLDJHMST-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine (CID 106456993) is N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine is CCCOCCC1(CNC(C)C)CCC1.
What is the InChIKey of N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is ROKOIDHLDJHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-9-15-10-8-13(6-5-7-13)11-14-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 106456993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).