1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane

C16H42N2 — CID 142969237

IUPAC1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane
SMILESCC.CC.CC.CCCN(C)C(CC)CCNC
InChIInChI=1S/C10H24N2.3C2H6/c1-5-9-12(4)10(6-2)7-8-11-3;3*1-2/h10-11H,5-9H2,1-4H3;3*1-2H3
InChIKeyGWDJBJLQBKOSBG-UHFFFAOYSA-N
MW262.53 g/mol
LogP4.79
Rot. Bonds7

About 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane

1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane (PubChem CID 142969237) has the molecular formula C16H42N2 and a molecular weight of 262.53 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane
PubChem CID142969237
Molecular FormulaC16H42N2
Molecular Weight262.53 g/mol
Exact Mass262.33
IUPAC Name1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane
SMILESCC.CC.CC.CCCN(C)C(CC)CCNC
InChIInChI=1S/C10H24N2.3C2H6/c1-5-9-12(4)10(6-2)7-8-11-3;3*1-2/h10-11H,5-9H2,1-4H3;3*1-2H3
InChIKeyGWDJBJLQBKOSBG-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane?
The IUPAC name of 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane (CID 142969237) is 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane is CC.CC.CC.CCCN(C)C(CC)CCNC.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane?
The InChIKey is GWDJBJLQBKOSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.3C2H6/c1-5-9-12(4)10(6-2)7-8-11-3;3*1-2/h10-11H,5-9H2,1-4H3;3*1-2H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane?
1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane has a molecular weight of 262.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane is sourced from PubChem (CID 142969237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).