3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine

C13H30N2O — CID 79573876

IUPAC3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine
SMILESCCCNC(COC(C)C)C(C)(C)N(C)C
InChIInChI=1S/C13H30N2O/c1-8-9-14-12(10-16-11(2)3)13(4,5)15(6)7/h11-12,14H,8-10H2,1-7H3
InChIKeyCYFOJJCRTCWPEL-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds8

About 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine

3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine (PubChem CID 79573876) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine
PubChem CID79573876
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine
SMILESCCCNC(COC(C)C)C(C)(C)N(C)C
InChIInChI=1S/C13H30N2O/c1-8-9-14-12(10-16-11(2)3)13(4,5)15(6)7/h11-12,14H,8-10H2,1-7H3
InChIKeyCYFOJJCRTCWPEL-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
CID 82922907
7,7,7-trifluoro-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
CID 115517165
3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine
CID 79568715
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103312155
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053636
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443
1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053836
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430
3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 114228461

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine (CID 79573876) is 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine is CCCNC(COC(C)C)C(C)(C)N(C)C.
What is the InChIKey of 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine?
The InChIKey is CYFOJJCRTCWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-8-9-14-12(10-16-11(2)3)13(4,5)15(6)7/h11-12,14H,8-10H2,1-7H3.
What are the key properties of 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine?
3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 79573876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).