3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine

C11H23N3 — CID 118473942

IUPAC3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine
SMILESCC(C)/C=C1\NCCCN1CCCN
InChIInChI=1S/C11H23N3/c1-10(2)9-11-13-6-4-8-14(11)7-3-5-12/h9-10,13H,3-8,12H2,1-2H3/b11-9+
InChIKeyNQVLZGOPFQAIIJ-PKNBQFBNSA-N
MW197.33 g/mol
LogP1.13
Rot. Bonds4

About 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine

3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine (PubChem CID 118473942) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine
PubChem CID118473942
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine
SMILESCC(C)/C=C1\NCCCN1CCCN
InChIInChI=1S/C11H23N3/c1-10(2)9-11-13-6-4-8-14(11)7-3-5-12/h9-10,13H,3-8,12H2,1-2H3/b11-9+
InChIKeyNQVLZGOPFQAIIJ-PKNBQFBNSA-N
XLogP1.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine?
The IUPAC name of 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine (CID 118473942) is 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine.
What is the SMILES notation for 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine?
The canonical SMILES for 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine is CC(C)/C=C1\NCCCN1CCCN.
What is the InChIKey of 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine?
The InChIKey is NQVLZGOPFQAIIJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(2)9-11-13-6-4-8-14(11)7-3-5-12/h9-10,13H,3-8,12H2,1-2H3/b11-9+.
What are the key properties of 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine?
3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-(2-methylpropylidene)-1,3-diazinan-1-yl]propan-1-amine is sourced from PubChem (CID 118473942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).