trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol

C14H29NO — CID 102732042

IUPACtrans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
SMILESCCCCCN(C(C)C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H29NO/c1-4-5-8-11-15(12(2)3)13-9-6-7-10-14(13)16/h12-14,16H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyJODJQCJTLZKWTC-KBPBESRZSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds6

About trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol (PubChem CID 102732042) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
PubChem CID102732042
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nametrans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
SMILESCCCCCN(C(C)C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H29NO/c1-4-5-8-11-15(12(2)3)13-9-6-7-10-14(13)16/h12-14,16H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyJODJQCJTLZKWTC-KBPBESRZSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734568
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
2-(dihexylamino)cyclohexan-1-ol
CID 139882524
4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 63472296
1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
CID 63469786
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
CID 102734577
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
CID 102731869
2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
CID 63472104

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol (CID 102732042) is trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol is CCCCCN(C(C)C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is JODJQCJTLZKWTC-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-8-11-15(12(2)3)13-9-6-7-10-14(13)16/h12-14,16H,4-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102732042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).