1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol

C13H26BrNO — CID 114952421

IUPAC1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)C(CBr)CN(C)CC1(O)CCCC1
InChIInChI=1S/C13H26BrNO/c1-11(2)12(8-14)9-15(3)10-13(16)6-4-5-7-13/h11-12,16H,4-10H2,1-3H3
InChIKeySENBFYKGDNWDAV-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.89
Rot. Bonds6

About 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952421) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952421
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)C(CBr)CN(C)CC1(O)CCCC1
InChIInChI=1S/C13H26BrNO/c1-11(2)12(8-14)9-15(3)10-13(16)6-4-5-7-13/h11-12,16H,4-10H2,1-3H3
InChIKeySENBFYKGDNWDAV-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952397
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952468
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65016819
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65212839
3-[[2-(bromomethyl)-3-methylbutyl]-methylamino]propanenitrile
CID 65011723
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol (CID 114952421) is 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol is CC(C)C(CBr)CN(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is SENBFYKGDNWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-11(2)12(8-14)9-15(3)10-13(16)6-4-5-7-13/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 292.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).