2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol

C10H23NO — CID 114997202

IUPAC2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CNC(C)C)C(C)C
InChIInChI=1S/C10H23NO/c1-6-10(12,8(2)3)7-11-9(4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyUWCOYZXMOASNPC-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds5

About 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol

2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol (PubChem CID 114997202) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
PubChem CID114997202
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CNC(C)C)C(C)C
InChIInChI=1S/C10H23NO/c1-6-10(12,8(2)3)7-11-9(4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyUWCOYZXMOASNPC-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
CID 114997755
ethane;2-ethyl-3-methylbutane-1,2-diol
CID 143778282
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
CID 107889072
3-ethyl-2,5,6,6-tetramethylheptan-3-ol
CID 156689233
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
3-ethyl-2-methylnonan-3-ol
CID 65146597
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol?
The IUPAC name of 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol (CID 114997202) is 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol is CCC(O)(CNC(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol?
The InChIKey is UWCOYZXMOASNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-10(12,8(2)3)7-11-9(4)5/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol?
2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 114997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).