4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol

C13H27NO — CID 106353579

IUPAC4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol
SMILESCC(C)C1CN(C(CCO)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-10(2)11-8-14(9-11)12(6-7-15)13(3,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyBDFBKCAZCZTPBT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.37
Rot. Bonds4

About 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol

4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol (PubChem CID 106353579) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol
PubChem CID106353579
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol
SMILESCC(C)C1CN(C(CCO)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-10(2)11-8-14(9-11)12(6-7-15)13(3,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyBDFBKCAZCZTPBT-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
CID 106353580
3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
CID 106353639
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
CID 79677583
1-(3-propan-2-ylazetidin-1-yl)ethanamine
CID 138747102
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687679
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
CID 130253781
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
CID 106116996
3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol
CID 106353576
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol
CID 106186739

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol (CID 106353579) is 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol is CC(C)C1CN(C(CCO)C(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol?
The InChIKey is BDFBKCAZCZTPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)11-8-14(9-11)12(6-7-15)13(3,4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol?
4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106353579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).