1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane

C14H32N2 — CID 168883414

IUPAC1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane
SMILESC=CCNC(CC)CN(C)C(C)(C)C.CC
InChIInChI=1S/C12H26N2.C2H6/c1-7-9-13-11(8-2)10-14(6)12(3,4)5;1-2/h7,11,13H,1,8-10H2,2-6H3;1-2H3
InChIKeyWUGMVDCKLMJONJ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.30
Rot. Bonds6

About 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane

1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane (PubChem CID 168883414) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane.

Molecular Properties

Compound Name1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane
PubChem CID168883414
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane
SMILESC=CCNC(CC)CN(C)C(C)(C)C.CC
InChIInChI=1S/C12H26N2.C2H6/c1-7-9-13-11(8-2)10-14(6)12(3,4)5;1-2/h7,11,13H,1,8-10H2,2-6H3;1-2H3
InChIKeyWUGMVDCKLMJONJ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane?
The IUPAC name of 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane (CID 168883414) is 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane.
What is the SMILES notation for 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane?
The canonical SMILES for 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane is C=CCNC(CC)CN(C)C(C)(C)C.CC.
What is the InChIKey of 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane?
The InChIKey is WUGMVDCKLMJONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6/c1-7-9-13-11(8-2)10-14(6)12(3,4)5;1-2/h7,11,13H,1,8-10H2,2-6H3;1-2H3.
What are the key properties of 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane?
1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane has a molecular weight of 228.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-1-N-methyl-2-N-prop-2-enylbutane-1,2-diamine;ethane is sourced from PubChem (CID 168883414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).