5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine

C15H34N2 — CID 82922907

IUPAC5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
SMILESCCCNC(CC(CC)CC)C(C)(C)N(C)C
InChIInChI=1S/C15H34N2/c1-8-11-16-14(12-13(9-2)10-3)15(4,5)17(6)7/h13-14,16H,8-12H2,1-7H3
InChIKeyCWPWKRYNHKBBKU-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds9

About 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine

5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine (PubChem CID 82922907) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine.

Molecular Properties

Compound Name5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
PubChem CID82922907
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
SMILESCCCNC(CC(CC)CC)C(C)(C)N(C)C
InChIInChI=1S/C15H34N2/c1-8-11-16-14(12-13(9-2)10-3)15(4,5)17(6)7/h13-14,16H,8-12H2,1-7H3
InChIKeyCWPWKRYNHKBBKU-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
The IUPAC name of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine (CID 82922907) is 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine.
What is the SMILES notation for 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
The canonical SMILES for 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine is CCCNC(CC(CC)CC)C(C)(C)N(C)C.
What is the InChIKey of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
The InChIKey is CWPWKRYNHKBBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-11-16-14(12-13(9-2)10-3)15(4,5)17(6)7/h13-14,16H,8-12H2,1-7H3.
What are the key properties of 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine?
5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine is sourced from PubChem (CID 82922907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).