1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol

C12H28N2O — CID 64818690

IUPAC1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
SMILESCCCCN(CCC(O)CN)C(C)CC
InChIInChI=1S/C12H28N2O/c1-4-6-8-14(11(3)5-2)9-7-12(15)10-13/h11-12,15H,4-10,13H2,1-3H3
InChIKeyNPGGRNKWIUFNJG-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.60
Rot. Bonds9

About 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol

1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol (PubChem CID 64818690) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
PubChem CID64818690
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
SMILESCCCCN(CCC(O)CN)C(C)CC
InChIInChI=1S/C12H28N2O/c1-4-6-8-14(11(3)5-2)9-7-12(15)10-13/h11-12,15H,4-10,13H2,1-3H3
InChIKeyNPGGRNKWIUFNJG-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
CID 81080597
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
1-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butan-2-ol
CID 64821591
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823
1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
CID 64820020
1-aminohenicosan-2-ol
CID 88605177
(2R)-1-aminooctan-2-ol
CID 13476237

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol?
The IUPAC name of 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol (CID 64818690) is 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol is CCCCN(CCC(O)CN)C(C)CC.
What is the InChIKey of 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol?
The InChIKey is NPGGRNKWIUFNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-6-8-14(11(3)5-2)9-7-12(15)10-13/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol?
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol is sourced from PubChem (CID 64818690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).