1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine

C14H32N2 — CID 82923355

IUPAC1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine
SMILESCCC(CC)CC(CCN(CC)CC)NC
InChIInChI=1S/C14H32N2/c1-6-13(7-2)12-14(15-5)10-11-16(8-3)9-4/h13-15H,6-12H2,1-5H3
InChIKeyPNYKWMSSLWSIMI-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds10

About 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine

1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine (PubChem CID 82923355) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine
PubChem CID82923355
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine
SMILESCCC(CC)CC(CCN(CC)CC)NC
InChIInChI=1S/C14H32N2/c1-6-13(7-2)12-14(15-5)10-11-16(8-3)9-4/h13-15H,6-12H2,1-5H3
InChIKeyPNYKWMSSLWSIMI-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine?
The IUPAC name of 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine (CID 82923355) is 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine?
The canonical SMILES for 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine is CCC(CC)CC(CCN(CC)CC)NC.
What is the InChIKey of 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine?
The InChIKey is PNYKWMSSLWSIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-13(7-2)12-14(15-5)10-11-16(8-3)9-4/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine?
1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine is sourced from PubChem (CID 82923355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).