N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine

C12H24BrN — CID 8024756

IUPACN-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCBr)CC1
InChIInChI=1S/C12H24BrN/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyPURVBFCEGSZURJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.58
Rot. Bonds3

About N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine

N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine (PubChem CID 8024756) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
PubChem CID8024756
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC NameN-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCCBr)CC1
InChIInChI=1S/C12H24BrN/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyPURVBFCEGSZURJ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
4-tert-butyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 54932163
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
4-tert-butyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 742513
N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
CID 63455790
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 54935093
4-tert-butyl-N-cyclopropylcyclohexan-1-amine
CID 16770515
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
4-tert-butyl-N-pent-3-ynylcycloheptan-1-amine
CID 116643207

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine?
The IUPAC name of N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine (CID 8024756) is N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCC(NCCBr)CC1.
What is the InChIKey of N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine?
The InChIKey is PURVBFCEGSZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine?
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine has a molecular weight of 262.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 8024756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).