3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol

C10H24N2O2 — CID 103390783

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
SMILESCOCC(CCCN)NC(C)CCO
InChIInChI=1S/C10H24N2O2/c1-9(5-7-13)12-10(8-14-2)4-3-6-11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyXRCQRRTWWAGSFH-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.10
Rot. Bonds9

About 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol

3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol (PubChem CID 103390783) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
PubChem CID103390783
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
SMILESCOCC(CCCN)NC(C)CCO
InChIInChI=1S/C10H24N2O2/c1-9(5-7-13)12-10(8-14-2)4-3-6-11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyXRCQRRTWWAGSFH-UHFFFAOYSA-N
XLogP0.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol with MolForge

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Related Compounds

5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106349081
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
CID 115722598
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
CID 103389621
5-methoxy-4-N-(1-morpholin-4-ylpropan-2-yl)pentane-1,4-diamine
CID 103387992
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864954

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol (CID 103390783) is 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol is COCC(CCCN)NC(C)CCO.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol?
The InChIKey is XRCQRRTWWAGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-9(5-7-13)12-10(8-14-2)4-3-6-11/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol?
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 0.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 103390783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).