4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine

C13H30N2O — CID 123388278

IUPAC4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C13H30N2O/c1-10(13(5,6)14)9-16-12(3,4)8-11(2)15-7/h10-11,15H,8-9,14H2,1-7H3
InChIKeyRFIHKDGVRXNKHL-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.15
Rot. Bonds7

About 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine

4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine (PubChem CID 123388278) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine
PubChem CID123388278
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C13H30N2O/c1-10(13(5,6)14)9-16-12(3,4)8-11(2)15-7/h10-11,15H,8-9,14H2,1-7H3
InChIKeyRFIHKDGVRXNKHL-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(2-methylpropoxy)propyl]pentan-2-amine
CID 21355570
4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine
CID 43207477
3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine
CID 59174831
4-(3-Amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine
CID 88562057
4-Methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine
CID 89159418
2-Methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine
CID 89391265
4-Methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine
CID 89402447
4-(3-Amino-2,3-dimethylbutoxy)-4-methylhexan-2-amine
CID 89409886
1-(4-amino-2-methylpentan-2-yl)oxy-N,2,3-trimethylpentan-3-amine
CID 89960888
4-(3-amino-2,3-dimethylpentoxy)-N,4-dimethylhexan-2-amine
CID 89960889
4-Methyl-4-[2-(propylamino)propoxy]pentan-2-amine
CID 117782662
1-(4-Amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine
CID 118492052

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine?
The IUPAC name of 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine (CID 123388278) is 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine is CNC(C)CC(C)(C)OCC(C)C(C)(C)N.
What is the InChIKey of 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine?
The InChIKey is RFIHKDGVRXNKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-10(13(5,6)14)9-16-12(3,4)8-11(2)15-7/h10-11,15H,8-9,14H2,1-7H3.
What are the key properties of 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine?
4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 123388278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).