4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol

C13H30N2O — CID 79360585

IUPAC4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
SMILESCCCN(CCC(C)(C)O)C(C)(CC)CN
InChIInChI=1S/C13H30N2O/c1-6-9-15(10-8-12(3,4)16)13(5,7-2)11-14/h16H,6-11,14H2,1-5H3
InChIKeyFLURHDTWCMGTMD-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.99
Rot. Bonds8

About 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol

4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol (PubChem CID 79360585) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
PubChem CID79360585
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
SMILESCCCN(CCC(C)(C)O)C(C)(CC)CN
InChIInChI=1S/C13H30N2O/c1-6-9-15(10-8-12(3,4)16)13(5,7-2)11-14/h16H,6-11,14H2,1-5H3
InChIKeyFLURHDTWCMGTMD-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
CID 63891389
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
CID 101011779
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol (CID 79360585) is 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol is CCCN(CCC(C)(C)O)C(C)(CC)CN.
What is the InChIKey of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
The InChIKey is FLURHDTWCMGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-9-15(10-8-12(3,4)16)13(5,7-2)11-14/h16H,6-11,14H2,1-5H3.
What are the key properties of 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol?
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79360585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).