(4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine

C11H18N2 — CID 174007836

IUPAC(4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine
SMILESCC1=CCNC(C)C/C=C(C)\N=C\1
InChIInChI=1S/C11H18N2/c1-9-6-7-12-10(2)4-5-11(3)13-8-9/h5-6,8,10,12H,4,7H2,1-3H3/b9-6?,11-5-,13-8+
InChIKeyZLUBFNUFLUBPNB-MAJQTHRCSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds

About (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine

(4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine (PubChem CID 174007836) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine.

Molecular Properties

Compound Name(4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine
PubChem CID174007836
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine
SMILESCC1=CCNC(C)C/C=C(C)\N=C\1
InChIInChI=1S/C11H18N2/c1-9-6-7-12-10(2)4-5-11(3)13-8-9/h5-6,8,10,12H,4,7H2,1-3H3/b9-6?,11-5-,13-8+
InChIKeyZLUBFNUFLUBPNB-MAJQTHRCSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1,1-difluoroethyl)-4H-azepin-6-yl]methyl]cyclopropanamine
CID 163895124
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CID 70315852
1-N-ethyl-1-N-[(Z)-2-(2-methylidenebutylideneamino)but-2-enyl]propane-1,2-diamine
CID 88061817
1,2,3,8a-Tetrahydro-1,6-naphthyridine
CID 91608146
N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489361
2,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491784
2-ethyl-6-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493377
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
CID 123977542
(Z)-5-[[(E)-3-methylpent-2-enylidene]amino]hex-4-en-3-amine
CID 124016195
N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]prop-1-en-2-amine
CID 129016785

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine?
The IUPAC name of (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine (CID 174007836) is (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine.
What is the SMILES notation for (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine?
The canonical SMILES for (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine is CC1=CCNC(C)C/C=C(C)\N=C\1.
What is the InChIKey of (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine?
The InChIKey is ZLUBFNUFLUBPNB-MAJQTHRCSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-6-7-12-10(2)4-5-11(3)13-8-9/h5-6,8,10,12H,4,7H2,1-3H3/b9-6?,11-5-,13-8+.
What are the key properties of (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine?
(4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine has a molecular weight of 178.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5,8-trimethyl-1,2,3,10-tetrahydro-1,6-diazecine is sourced from PubChem (CID 174007836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).