N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine

C13H25NO — CID 103578480

IUPACN-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESC=CCCOCCNC1CC(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-4-5-7-15-8-6-14-13-9-12(10-13)11(2)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyDDANKTHTXXRDCJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine

N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103578480) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103578480
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESC=CCCOCCNC1CC(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-4-5-7-15-8-6-14-13-9-12(10-13)11(2)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyDDANKTHTXXRDCJ-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4-methylhept-6-en-2-amine
CID 164549622
N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 169302315
N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
CID 174110162
N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222599
N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223100
N-(2-ethoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43778401
N-(2-butoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 61170864
N-(cyclohex-3-en-1-ylmethyl)-1-ethoxypropan-2-amine
CID 61821087
N-(1-ethoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 61822299
N-[2-(3-methylbutoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61881467
2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine
CID 62597822
N-(2-but-3-enoxyethyl)-3-methylcyclohexan-1-amine
CID 62598002

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine (CID 103578480) is N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine is C=CCCOCCNC1CC(C(C)C)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is DDANKTHTXXRDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-7-15-8-6-14-13-9-12(10-13)11(2)3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103578480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).