N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine

C18H30BrNS — CID 63523248

IUPACN-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine
SMILESCCCCC1CCC(CNCC)(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C18H30BrNS/c1-3-5-6-15-7-9-18(10-8-15,14-20-4-2)12-17-11-16(19)13-21-17/h11,13,15,20H,3-10,12,14H2,1-2H3
InChIKeyRADKAKOTNNEKLB-UHFFFAOYSA-N
MW372.42 g/mol
LogP6.03
Rot. Bonds8

About N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine

N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine (PubChem CID 63523248) has the molecular formula C18H30BrNS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine
PubChem CID63523248
Molecular FormulaC18H30BrNS
Molecular Weight372.42 g/mol
Exact Mass371.13
IUPAC NameN-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine
SMILESCCCCC1CCC(CNCC)(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C18H30BrNS/c1-3-5-6-15-7-9-18(10-8-15,14-20-4-2)12-17-11-16(19)13-21-17/h11,13,15,20H,3-10,12,14H2,1-2H3
InChIKeyRADKAKOTNNEKLB-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680308
N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 83178610
4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
CID 66049313
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine (CID 63523248) is N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine is CCCCC1CCC(CNCC)(Cc2cc(Br)cs2)CC1.
What is the InChIKey of N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine?
The InChIKey is RADKAKOTNNEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNS/c1-3-5-6-15-7-9-18(10-8-15,14-20-4-2)12-17-11-16(19)13-21-17/h11,13,15,20H,3-10,12,14H2,1-2H3.
What are the key properties of N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine?
N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine has a molecular weight of 372.42 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63523248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).