3-[(propan-2-ylamino)methyl]hexan-1-ol

C10H23NO — CID 103921662

IUPAC3-[(propan-2-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)C
InChIInChI=1S/C10H23NO/c1-4-5-10(6-7-12)8-11-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyVVLGWBDTBZLIBB-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds7

About 3-[(propan-2-ylamino)methyl]hexan-1-ol

3-[(propan-2-ylamino)methyl]hexan-1-ol (PubChem CID 103921662) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]hexan-1-ol
PubChem CID103921662
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-[(propan-2-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)C
InChIInChI=1S/C10H23NO/c1-4-5-10(6-7-12)8-11-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyVVLGWBDTBZLIBB-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

5-methyl-3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 115906054
N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65232689
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
CID 115725383
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
ethane;3-propylhexan-1-ol
CID 142096808
2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
CID 106114744
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
2-[(propan-2-ylamino)methyl]propane-1,3-diol
CID 162784969

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]hexan-1-ol (CID 103921662) is 3-[(propan-2-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC(C)C.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]hexan-1-ol?
The InChIKey is VVLGWBDTBZLIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-10(6-7-12)8-11-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]hexan-1-ol?
3-[(propan-2-ylamino)methyl]hexan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 103921662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).