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

C11H21N — CID 131245731

IUPACN-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine
SMILESC/C=C/CN(C)C1CCC(C)C1
InChIInChI=1S/C11H21N/c1-4-5-8-12(3)11-7-6-10(2)9-11/h4-5,10-11H,6-9H2,1-3H3/b5-4+
InChIKeyHIAOGPCUQJYVDW-SNAWJCMRSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

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

N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 131245731) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID131245731
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine
SMILESC/C=C/CN(C)C1CCC(C)C1
InChIInChI=1S/C11H21N/c1-4-5-8-12(3)11-7-6-10(2)9-11/h4-5,10-11H,6-9H2,1-3H3/b5-4+
InChIKeyHIAOGPCUQJYVDW-SNAWJCMRSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
CID 77110311
N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine
CID 131245251
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574
N-[(E)-but-2-enyl]-N-methyloxetan-3-amine
CID 144509687
N-(cyclopropylmethyl)-N,3-dimethylcyclopentan-1-amine
CID 130920507
N,N'-dimethyl-N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64514284
ethane;N,N,3-trimethylcyclopentan-1-amine
CID 91598782
2-methyl-4-[methyl-(3-methylcyclohexyl)amino]but-2-enoic acid
CID 77076199
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine
CID 12968074
trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701764

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine (CID 131245731) is N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine is C/C=C/CN(C)C1CCC(C)C1.
What is the InChIKey of N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is HIAOGPCUQJYVDW-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-8-12(3)11-7-6-10(2)9-11/h4-5,10-11H,6-9H2,1-3H3/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine?
N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 131245731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).