3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol

C12H27NO — CID 115359046

IUPAC3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
SMILESCCCC(CCC)NCC(C)(C)CO
InChIInChI=1S/C12H27NO/c1-5-7-11(8-6-2)13-9-12(3,4)10-14/h11,13-14H,5-10H2,1-4H3
InChIKeySQULJOPUPJXPIE-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds8

About 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol

3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol (PubChem CID 115359046) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
PubChem CID115359046
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
SMILESCCCC(CCC)NCC(C)(C)CO
InChIInChI=1S/C12H27NO/c1-5-7-11(8-6-2)13-9-12(3,4)10-14/h11,13-14H,5-10H2,1-4H3
InChIKeySQULJOPUPJXPIE-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanenitrile
CID 81411049
4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
CID 106144836
1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 103729745
3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 102869912
2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
CID 115894970
2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol
CID 106173035
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411042
2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61352156
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
CID 106328180
1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol
CID 115906563
5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol
CID 115891878

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol (CID 115359046) is 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol is CCCC(CCC)NCC(C)(C)CO.
What is the InChIKey of 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is SQULJOPUPJXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-11(8-6-2)13-9-12(3,4)10-14/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol?
3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).