1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol

C14H30N2O — CID 81393172

IUPAC1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
SMILESC[C@H](NCC(O)CN(C)C)C1CCCCCC1
InChIInChI=1S/C14H30N2O/c1-12(13-8-6-4-5-7-9-13)15-10-14(17)11-16(2)3/h12-15,17H,4-11H2,1-3H3/t12-,14?/m0/s1
InChIKeyGVKXLSJPTRUKLX-NBFOIZRFSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds6

About 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol

1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol (PubChem CID 81393172) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
PubChem CID81393172
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
SMILESC[C@H](NCC(O)CN(C)C)C1CCCCCC1
InChIInChI=1S/C14H30N2O/c1-12(13-8-6-4-5-7-9-13)15-10-14(17)11-16(2)3/h12-15,17H,4-11H2,1-3H3/t12-,14?/m0/s1
InChIKeyGVKXLSJPTRUKLX-NBFOIZRFSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
1-(dicyclopropylmethylamino)-3-(dimethylamino)propan-2-ol
CID 61479607
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol (CID 81393172) is 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol is C[C@H](NCC(O)CN(C)C)C1CCCCCC1.
What is the InChIKey of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol?
The InChIKey is GVKXLSJPTRUKLX-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(13-8-6-4-5-7-9-13)15-10-14(17)11-16(2)3/h12-15,17H,4-11H2,1-3H3/t12-,14?/m0/s1.
What are the key properties of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol?
1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 81393172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).