3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol

C16H34N2O — CID 102870752

IUPAC3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol
SMILESCC(C)CNCC(C)(C)CN(CCCO)C1CCC1
InChIInChI=1S/C16H34N2O/c1-14(2)11-17-12-16(3,4)13-18(9-6-10-19)15-7-5-8-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyIGHVRFUCEVBKLC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds10

About 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol

3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol (PubChem CID 102870752) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol
PubChem CID102870752
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol
SMILESCC(C)CNCC(C)(C)CN(CCCO)C1CCC1
InChIInChI=1S/C16H34N2O/c1-14(2)11-17-12-16(3,4)13-18(9-6-10-19)15-7-5-8-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyIGHVRFUCEVBKLC-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclobutylamino]propan-1-ol
CID 102870871
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
CID 102870774
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
CID 62258926
methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate
CID 102858467
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
N-(1-cyclopropylethyl)-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257526
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol (CID 102870752) is 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol is CC(C)CNCC(C)(C)CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol?
The InChIKey is IGHVRFUCEVBKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)11-17-12-16(3,4)13-18(9-6-10-19)15-7-5-8-15/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol?
3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol is sourced from PubChem (CID 102870752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).