trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol

C10H21NO — CID 131701504

IUPACtrans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol
SMILESCCCN(CCC)[C@@H]1CC[C@H]1O
InChIInChI=1S/C10H21NO/c1-3-7-11(8-4-2)9-5-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyIQMFOSFKQGRRQR-NXEZZACHSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds5

About trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol

trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol (PubChem CID 131701504) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol
PubChem CID131701504
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol
SMILESCCCN(CCC)[C@@H]1CC[C@H]1O
InChIInChI=1S/C10H21NO/c1-3-7-11(8-4-2)9-5-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyIQMFOSFKQGRRQR-NXEZZACHSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butanol, 1-(dipropylamino)-
CID 3301252
1-Dibutylamino-2-butanol
CID 3301470
4-(Diisopropylamino)butan-1-ol
CID 268109
1-(Diethylamino)butan-2-ol
CID 4272082
2-(Diethylamino)butan-1-ol
CID 13907470
2-(N,N-di-n-butylamino)-1-butanol
CID 14225049
1-[Di(propan-2-yl)amino]propan-2-ol
CID 22030584
2-(Dibutylamino)propan-1-ol
CID 222521
(2R)-1-[cyclobutyl(3,3,3-trifluoropropyl)amino]butan-2-ol
CID 111974933
1-[Cyclobutyl(methyl)amino]-3-fluoropropan-2-ol
CID 131219837
3-[3-Fluoropropyl(methyl)amino]cyclobutan-1-ol
CID 131222656
3-[3-Hydroxybutan-2-yl(methyl)amino]butan-2-ol
CID 12728892

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol (CID 131701504) is trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol is CCCN(CCC)[C@@H]1CC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol?
The InChIKey is IQMFOSFKQGRRQR-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-7-11(8-4-2)9-5-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol?
trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol is sourced from PubChem (CID 131701504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).