[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol

C12H25NO — CID 115243777

IUPAC[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
SMILESCCCC(C)(C)CNCC1(CO)CC1
InChIInChI=1S/C12H25NO/c1-4-5-11(2,3)8-13-9-12(10-14)6-7-12/h13-14H,4-10H2,1-3H3
InChIKeyQZKSGJXTEXXZRN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds7

About [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol

[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol (PubChem CID 115243777) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
PubChem CID115243777
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
SMILESCCCC(C)(C)CNCC1(CO)CC1
InChIInChI=1S/C12H25NO/c1-4-5-11(2,3)8-13-9-12(10-14)6-7-12/h13-14H,4-10H2,1-3H3
InChIKeyQZKSGJXTEXXZRN-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115454323
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
CID 114493450
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
CID 115454884
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249148
[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
CID 103033509
[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
CID 115454682
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
4-[(2,2-dimethylheptylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499621
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol (CID 115243777) is [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol is CCCC(C)(C)CNCC1(CO)CC1.
What is the InChIKey of [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol?
The InChIKey is QZKSGJXTEXXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-11(2,3)8-13-9-12(10-14)6-7-12/h13-14H,4-10H2,1-3H3.
What are the key properties of [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol?
[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).