N-tert-butyl-1-ethynylcyclopentan-1-amine

C11H19N — CID 130011487

IUPACN-tert-butyl-1-ethynylcyclopentan-1-amine
SMILESC#CC1(NC(C)(C)C)CCCC1
InChIInChI=1S/C11H19N/c1-5-11(8-6-7-9-11)12-10(2,3)4/h1,12H,6-9H2,2-4H3
InChIKeyZCVJBTYCJMSXAW-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.32
Rot. Bonds1

About N-tert-butyl-1-ethynylcyclopentan-1-amine

N-tert-butyl-1-ethynylcyclopentan-1-amine (PubChem CID 130011487) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-tert-butyl-1-ethynylcyclopentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-ethynylcyclopentan-1-amine
PubChem CID130011487
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-tert-butyl-1-ethynylcyclopentan-1-amine
SMILESC#CC1(NC(C)(C)C)CCCC1
InChIInChI=1S/C11H19N/c1-5-11(8-6-7-9-11)12-10(2,3)4/h1,12H,6-9H2,2-4H3
InChIKeyZCVJBTYCJMSXAW-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-ethynylpyrrolidin-3-amine
CID 59913349
N-tert-butyl-3-ethynyl-1-methylpiperidin-3-amine
CID 21306391
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 21306399
N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
CID 59913364
N,N'-bis(1-ethynylcyclohexyl)propane-1,3-diamine
CID 22251709
1-(aminomethyl)-N-tert-butylcyclopentan-1-amine
CID 82503235
1-[(tert-butylamino)methyl]cyclooctan-1-ol
CID 62774336
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1-tert-butyl-1-ethynylcyclopropane
CID 155647810
1-(tert-butylamino)-3-(cyclohexylmethyl)cyclopentane-1-carbonitrile
CID 20825428
1-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 115437898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-ethynylcyclopentan-1-amine?
The IUPAC name of N-tert-butyl-1-ethynylcyclopentan-1-amine (CID 130011487) is N-tert-butyl-1-ethynylcyclopentan-1-amine.
What is the SMILES notation for N-tert-butyl-1-ethynylcyclopentan-1-amine?
The canonical SMILES for N-tert-butyl-1-ethynylcyclopentan-1-amine is C#CC1(NC(C)(C)C)CCCC1.
What is the InChIKey of N-tert-butyl-1-ethynylcyclopentan-1-amine?
The InChIKey is ZCVJBTYCJMSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-11(8-6-7-9-11)12-10(2,3)4/h1,12H,6-9H2,2-4H3.
What are the key properties of N-tert-butyl-1-ethynylcyclopentan-1-amine?
N-tert-butyl-1-ethynylcyclopentan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-ethynylcyclopentan-1-amine is sourced from PubChem (CID 130011487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).