1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol

C13H30N2O — CID 79489819

IUPAC1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
SMILESCCC(CC)N(CCC(O)CN)CC(C)C
InChIInChI=1S/C13H30N2O/c1-5-12(6-2)15(10-11(3)4)8-7-13(16)9-14/h11-13,16H,5-10,14H2,1-4H3
InChIKeyZTYKQCIWNBHVQR-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds9

About 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol

1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol (PubChem CID 79489819) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
PubChem CID79489819
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
SMILESCCC(CC)N(CCC(O)CN)CC(C)C
InChIInChI=1S/C13H30N2O/c1-5-12(6-2)15(10-11(3)4)8-7-13(16)9-14/h11-13,16H,5-10,14H2,1-4H3
InChIKeyZTYKQCIWNBHVQR-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
CID 64820020
1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-amino-4-[2-methylpropyl(pentan-3-yl)amino]butanenitrile
CID 79483167
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
1-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butan-2-ol
CID 64821591
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide
CID 79484293
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol?
The IUPAC name of 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol (CID 79489819) is 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol?
The canonical SMILES for 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol is CCC(CC)N(CCC(O)CN)CC(C)C.
What is the InChIKey of 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol?
The InChIKey is ZTYKQCIWNBHVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-12(6-2)15(10-11(3)4)8-7-13(16)9-14/h11-13,16H,5-10,14H2,1-4H3.
What are the key properties of 1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol?
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 9 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(pentan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 79489819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).