1-(4-bromobutyl)cyclopentan-1-amine

C9H18BrN — CID 70516124

IUPAC1-(4-bromobutyl)cyclopentan-1-amine
SMILESNC1(CCCCBr)CCCC1
InChIInChI=1S/C9H18BrN/c10-8-4-3-7-9(11)5-1-2-6-9/h1-8,11H2
InChIKeyBYGKNGOIKQFGNP-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-bromobutyl)cyclopentan-1-amine

1-(4-bromobutyl)cyclopentan-1-amine (PubChem CID 70516124) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-(4-bromobutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-bromobutyl)cyclopentan-1-amine
PubChem CID70516124
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name1-(4-bromobutyl)cyclopentan-1-amine
SMILESNC1(CCCCBr)CCCC1
InChIInChI=1S/C9H18BrN/c10-8-4-3-7-9(11)5-1-2-6-9/h1-8,11H2
InChIKeyBYGKNGOIKQFGNP-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptylcycloheptan-1-amine
CID 63407607
1-butylcyclohexan-1-amine
CID 13182498
1-(bromomethyl)cyclopentan-1-amine
CID 518855
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-[3-(dimethylamino)propyl]cyclohexan-1-amine
CID 115074301
azane;1-propylcyclopentan-1-amine
CID 118268242
1-pentylcyclopropan-1-amine
CID 66023547
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
1-(4-ethylhexyl)cyclohexan-1-amine
CID 174863315
1-decylcyclopropan-1-amine
CID 66023987
1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine
CID 13381217
1-(5-bromopentyl)-1-ethylcyclobutane
CID 90128620

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-bromobutyl)cyclopentan-1-amine (CID 70516124) is 1-(4-bromobutyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-bromobutyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-bromobutyl)cyclopentan-1-amine is NC1(CCCCBr)CCCC1.
What is the InChIKey of 1-(4-bromobutyl)cyclopentan-1-amine?
The InChIKey is BYGKNGOIKQFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c10-8-4-3-7-9(11)5-1-2-6-9/h1-8,11H2.
What are the key properties of 1-(4-bromobutyl)cyclopentan-1-amine?
1-(4-bromobutyl)cyclopentan-1-amine has a molecular weight of 220.15 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)cyclopentan-1-amine is sourced from PubChem (CID 70516124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).