2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol

C13H27NO — CID 114868630

IUPAC2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
SMILESCC(C)CC(CO)(CC(C)C)NC1CC1
InChIInChI=1S/C13H27NO/c1-10(2)7-13(9-15,8-11(3)4)14-12-5-6-12/h10-12,14-15H,5-9H2,1-4H3
InChIKeyQJUYQXGHTXHRCH-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.56
Rot. Bonds7

About 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol

2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol (PubChem CID 114868630) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
PubChem CID114868630
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
SMILESCC(C)CC(CO)(CC(C)C)NC1CC1
InChIInChI=1S/C13H27NO/c1-10(2)7-13(9-15,8-11(3)4)14-12-5-6-12/h10-12,14-15H,5-9H2,1-4H3
InChIKeyQJUYQXGHTXHRCH-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cycloheptyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867745
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
3-[bis(2-methylpropyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64828074
2-(cyclopropylamino)-2-methylpropan-1-ol
CID 61056004
2-(cyclopropylamino)-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentan-1-ol
CID 64826988
2-ethyl-2-(thian-4-ylamino)propane-1,3-diol
CID 115924302
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
CID 64796626
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol (CID 114868630) is 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol is CC(C)CC(CO)(CC(C)C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
The InChIKey is QJUYQXGHTXHRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-13(9-15,8-11(3)4)14-12-5-6-12/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol has a molecular weight of 213.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol is sourced from PubChem (CID 114868630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).