4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol

C12H26N2O — CID 107151421

IUPAC4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCC1CCCN1
InChIInChI=1S/C12H26N2O/c1-12(2,3)7-11(15)9-13-8-10-5-4-6-14-10/h10-11,13-15H,4-9H2,1-3H3
InChIKeyIYKHPGCYTKHVSZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.13
Rot. Bonds5

About 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol

4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol (PubChem CID 107151421) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
PubChem CID107151421
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCC1CCCN1
InChIInChI=1S/C12H26N2O/c1-12(2,3)7-11(15)9-13-8-10-5-4-6-14-10/h10-11,13-15H,4-9H2,1-3H3
InChIKeyIYKHPGCYTKHVSZ-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
CID 107151382
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106638610
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106639319
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol (CID 107151421) is 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol is CC(C)(C)CC(O)CNCC1CCCN1.
What is the InChIKey of 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol?
The InChIKey is IYKHPGCYTKHVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)7-11(15)9-13-8-10-5-4-6-14-10/h10-11,13-15H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol?
4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 107151421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).