3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol

C13H30N2O2 — CID 106349081

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCOCC(CCCN)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H30N2O2/c1-13(2,3)12(7-9-16)15-11(10-17-4)6-5-8-14/h11-12,15-16H,5-10,14H2,1-4H3
InChIKeyXGMZDUTUWUQZPT-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.13
Rot. Bonds9

About 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol

3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106349081) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106349081
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCOCC(CCCN)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H30N2O2/c1-13(2,3)12(7-9-16)15-11(10-17-4)6-5-8-14/h11-12,15-16H,5-10,14H2,1-4H3
InChIKeyXGMZDUTUWUQZPT-UHFFFAOYSA-N
XLogP1.13
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 104925958
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
CID 103389621
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864954
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
5-methoxy-4-N-(2-methylbut-3-yn-2-yl)pentane-1,4-diamine
CID 103390012
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
CID 103387429
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol (CID 106349081) is 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol is COCC(CCCN)NC(CCO)C(C)(C)C.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is XGMZDUTUWUQZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-13(2,3)12(7-9-16)15-11(10-17-4)6-5-8-14/h11-12,15-16H,5-10,14H2,1-4H3.
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 1.13, 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).