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

C11H26N2O — CID 64820020

IUPAC1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
SMILESCC(C)CN(CCC(O)CN)C(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)8-13(10(3)4)6-5-11(14)7-12/h9-11,14H,5-8,12H2,1-4H3
InChIKeyWDTKBTCBCASGHS-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.06
Rot. Bonds7

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

1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol (PubChem CID 64820020) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
PubChem CID64820020
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
SMILESCC(C)CN(CCC(O)CN)C(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)8-13(10(3)4)6-5-11(14)7-12/h9-11,14H,5-8,12H2,1-4H3
InChIKeyWDTKBTCBCASGHS-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
1-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butan-2-ol
CID 64821591
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
CID 107871349
2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
CID 64825412
3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol
CID 82849695
N-[2-(2-aminoethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79478830
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 61377871

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol?
The IUPAC name of 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol (CID 64820020) is 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol is CC(C)CN(CCC(O)CN)C(C)C.
What is the InChIKey of 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol?
The InChIKey is WDTKBTCBCASGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-9(2)8-13(10(3)4)6-5-11(14)7-12/h9-11,14H,5-8,12H2,1-4H3.
What are the key properties of 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol?
1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol is sourced from PubChem (CID 64820020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).