N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine

C10H18ClN — CID 107897801

IUPACN-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
SMILESC/C=C/CNC1CC(Cl)C1(C)C
InChIInChI=1S/C10H18ClN/c1-4-5-6-12-9-7-8(11)10(9,2)3/h4-5,8-9,12H,6-7H2,1-3H3/b5-4+
InChIKeyHJFGSEQEKUOPGZ-SNAWJCMRSA-N
MW187.71 g/mol
LogP2.56
Rot. Bonds3

About N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine

N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine (PubChem CID 107897801) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
PubChem CID107897801
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC NameN-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
SMILESC/C=C/CNC1CC(Cl)C1(C)C
InChIInChI=1S/C10H18ClN/c1-4-5-6-12-9-7-8(11)10(9,2)3/h4-5,8-9,12H,6-7H2,1-3H3/b5-4+
InChIKeyHJFGSEQEKUOPGZ-SNAWJCMRSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114631905
3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 106440079
N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine
CID 107899850
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
CID 107898933
3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 114631990
N-[(4-tert-butylphenyl)methyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631954
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
CID 114631848
N-(1-benzothiophen-3-ylmethyl)-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631979
3-chloro-2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 114631826
N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114632207
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine (CID 107897801) is N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine is C/C=C/CNC1CC(Cl)C1(C)C.
What is the InChIKey of N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine?
The InChIKey is HJFGSEQEKUOPGZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18ClN/c1-4-5-6-12-9-7-8(11)10(9,2)3/h4-5,8-9,12H,6-7H2,1-3H3/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine?
N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine has a molecular weight of 187.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 107897801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).