8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine

C14H31N3 — CID 139524563

IUPAC8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine
SMILESCCC1CC(N)NC(C)CCN(C)CC1CC
InChIInChI=1S/C14H31N3/c1-5-12-9-14(15)16-11(3)7-8-17(4)10-13(12)6-2/h11-14,16H,5-10,15H2,1-4H3
InChIKeyNMHPYNRWGFCMSZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP2.03
Rot. Bonds2

About 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine

8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine (PubChem CID 139524563) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine.

Molecular Properties

Compound Name8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine
PubChem CID139524563
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine
SMILESCCC1CC(N)NC(C)CCN(C)CC1CC
InChIInChI=1S/C14H31N3/c1-5-12-9-14(15)16-11(3)7-8-17(4)10-13(12)6-2/h11-14,16H,5-10,15H2,1-4H3
InChIKeyNMHPYNRWGFCMSZ-UHFFFAOYSA-N
XLogP2.03
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine?
The IUPAC name of 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine (CID 139524563) is 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine.
What is the SMILES notation for 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine?
The canonical SMILES for 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine is CCC1CC(N)NC(C)CCN(C)CC1CC.
What is the InChIKey of 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine?
The InChIKey is NMHPYNRWGFCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-12-9-14(15)16-11(3)7-8-17(4)10-13(12)6-2/h11-14,16H,5-10,15H2,1-4H3.
What are the key properties of 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine?
8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine has a molecular weight of 241.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine is sourced from PubChem (CID 139524563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).