(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol

C12H25NO — CID 114985646

IUPAC(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-10(9-14)13-11-5-4-7-12(2,3)8-6-11/h10-11,13-14H,4-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyJXVNPHIVPXROOB-NFJWQWPMSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds3

About (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol

(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol (PubChem CID 114985646) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
PubChem CID114985646
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-10(9-14)13-11-5-4-7-12(2,3)8-6-11/h10-11,13-14H,4-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyJXVNPHIVPXROOB-NFJWQWPMSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
2-(cyclododecylamino)propan-1-ol
CID 43499740
2-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817249
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
CID 65083653
4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 103788987
N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65082973
methyl (2S)-2-[(4,4-dimethylcycloheptyl)amino]propanoate
CID 65084501
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959
3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine
CID 115905868
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol (CID 114985646) is (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol is C[C@H](CO)NC1CCCC(C)(C)CC1.
What is the InChIKey of (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol?
The InChIKey is JXVNPHIVPXROOB-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(9-14)13-11-5-4-7-12(2,3)8-6-11/h10-11,13-14H,4-9H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol?
(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol is sourced from PubChem (CID 114985646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).