4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol

C11H26N2O2 — CID 103392024

IUPAC4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
SMILESCOCC(CCCN)N(C)CCC(C)O
InChIInChI=1S/C11H26N2O2/c1-10(14)6-8-13(2)11(9-15-3)5-4-7-12/h10-11,14H,4-9,12H2,1-3H3
InChIKeyCZEXQKFVBVSVAI-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.44
Rot. Bonds9

About 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol

4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol (PubChem CID 103392024) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
PubChem CID103392024
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
SMILESCOCC(CCCN)N(C)CCC(C)O
InChIInChI=1S/C11H26N2O2/c1-10(14)6-8-13(2)11(9-15-3)5-4-7-12/h10-11,14H,4-9,12H2,1-3H3
InChIKeyCZEXQKFVBVSVAI-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103391776
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 103391713
5-methoxy-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391761
2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107494968
5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 103391840

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol (CID 103392024) is 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol is COCC(CCCN)N(C)CCC(C)O.
What is the InChIKey of 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol?
The InChIKey is CZEXQKFVBVSVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-10(14)6-8-13(2)11(9-15-3)5-4-7-12/h10-11,14H,4-9,12H2,1-3H3.
What are the key properties of 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol?
4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 103392024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).