3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol

C14H32N2O — CID 106811400

IUPAC3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
SMILESCCC(C)CN(CC)CCCC(O)(CC)CN
InChIInChI=1S/C14H32N2O/c1-5-13(4)11-16(7-3)10-8-9-14(17,6-2)12-15/h13,17H,5-12,15H2,1-4H3
InChIKeyWZSVDVICSFSRDU-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.23
Rot. Bonds10

About 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol

3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol (PubChem CID 106811400) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
PubChem CID106811400
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
SMILESCCC(C)CN(CC)CCCC(O)(CC)CN
InChIInChI=1S/C14H32N2O/c1-5-13(4)11-16(7-3)10-8-9-14(17,6-2)12-15/h13,17H,5-12,15H2,1-4H3
InChIKeyWZSVDVICSFSRDU-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
CID 79471006
3-(aminomethyl)-6-(2-methylbutylsulfanyl)hexan-3-ol
CID 107764964
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 79482211
3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
CID 106811212
methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79481544
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
CID 79481793

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol (CID 106811400) is 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol is CCC(C)CN(CC)CCCC(O)(CC)CN.
What is the InChIKey of 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol?
The InChIKey is WZSVDVICSFSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-13(4)11-16(7-3)10-8-9-14(17,6-2)12-15/h13,17H,5-12,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol has a molecular weight of 244.42 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol is sourced from PubChem (CID 106811400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).