2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol

C9H22N2O — CID 102538635

IUPAC2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(C(CN)CO)N(C)C
InChIInChI=1S/C9H22N2O/c1-7(2)9(11(3)4)8(5-10)6-12/h7-9,12H,5-6,10H2,1-4H3
InChIKeyMITVHFUHLODTFG-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.14
Rot. Bonds5

About 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol

2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol (PubChem CID 102538635) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol
PubChem CID102538635
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(C(CN)CO)N(C)C
InChIInChI=1S/C9H22N2O/c1-7(2)9(11(3)4)8(5-10)6-12/h7-9,12H,5-6,10H2,1-4H3
InChIKeyMITVHFUHLODTFG-UHFFFAOYSA-N
XLogP0.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-Methylaminohexanol
CID 129647648
3-Amino-2-[(isobutylamino)methyl]butan-1-ol
CID 168301758
2-(Methylaminomethyl)pentan-1-ol
CID 22946837
1,6-Diamino-4-(diethylamino)-2-methylhexan-3-ol
CID 57049297
3-Amino-1-(diethylamino)-2-methylpentan-1-ol
CID 57315232
(2R)-4-methyl-2-[(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 59084892
4-Methyl-3-(methylamino)pentan-1-ol
CID 59515965
3-(Ethylamino)-4-methylpentan-1-ol
CID 64814074
[4-(Dimethylamino)piperidin-3-yl]methanol;hydrochloride
CID 67239494
[4-(Dimethylamino)piperidin-3-yl]methanol
CID 67239495
[(3S,4S)-4-(dimethylamino)piperidin-3-yl]methanol;hydrochloride
CID 67239496
[(3R,4R)-4-(dimethylamino)piperidin-3-yl]methanol;hydrochloride
CID 67239498

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol (CID 102538635) is 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol is CC(C)C(C(CN)CO)N(C)C.
What is the InChIKey of 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol?
The InChIKey is MITVHFUHLODTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-7(2)9(11(3)4)8(5-10)6-12/h7-9,12H,5-6,10H2,1-4H3.
What are the key properties of 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol?
2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(dimethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 102538635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).