(2Z)-3-methyl-1-azacyclododec-2-en-2-amine

C12H24N2 — CID 155373345

IUPAC(2Z)-3-methyl-1-azacyclododec-2-en-2-amine
SMILESC/C1=C(\N)NCCCCCCCCC1
InChIInChI=1S/C12H24N2/c1-11-9-7-5-3-2-4-6-8-10-14-12(11)13/h14H,2-10,13H2,1H3/b12-11-
InChIKeyCOEHCJSWPASVRC-QXMHVHEDSA-N
MW196.34 g/mol
LogP2.90
Rot. Bonds

About (2Z)-3-methyl-1-azacyclododec-2-en-2-amine

(2Z)-3-methyl-1-azacyclododec-2-en-2-amine (PubChem CID 155373345) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2Z)-3-methyl-1-azacyclododec-2-en-2-amine.

Molecular Properties

Compound Name(2Z)-3-methyl-1-azacyclododec-2-en-2-amine
PubChem CID155373345
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2Z)-3-methyl-1-azacyclododec-2-en-2-amine
SMILESC/C1=C(\N)NCCCCCCCCC1
InChIInChI=1S/C12H24N2/c1-11-9-7-5-3-2-4-6-8-10-14-12(11)13/h14H,2-10,13H2,1H3/b12-11-
InChIKeyCOEHCJSWPASVRC-QXMHVHEDSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-N'-octadecylprop-1-ene-1,1-diamine
CID 21569542
5-Methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 21721294
5-[(Dimethylamino)methyl]-1,2,3,4-tetrahydropyridin-6-amine
CID 117805529
1-N'-(4-methylidenehexyl)ethane-1,1-diamine
CID 129131799
N'-(4-methylidenehexyl)methanediamine
CID 130462341
N-ethyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyridin-6-amine
CID 134341688
1-cyclopropylidene-N'-heptyl-N-propylmethanediamine
CID 137414423
1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine
CID 139399238
N-methyl-5-propyl-1,2,3,4-tetrahydropyridin-6-amine
CID 142348248
2-methyl-1-N'-pentylprop-1-ene-1,1-diamine
CID 155015194
1-cyclobutylidene-N'-pentylmethanediamine
CID 169971990
azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
CID 173230015

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-1-azacyclododec-2-en-2-amine?
The IUPAC name of (2Z)-3-methyl-1-azacyclododec-2-en-2-amine (CID 155373345) is (2Z)-3-methyl-1-azacyclododec-2-en-2-amine.
What is the SMILES notation for (2Z)-3-methyl-1-azacyclododec-2-en-2-amine?
The canonical SMILES for (2Z)-3-methyl-1-azacyclododec-2-en-2-amine is C/C1=C(\N)NCCCCCCCCC1.
What is the InChIKey of (2Z)-3-methyl-1-azacyclododec-2-en-2-amine?
The InChIKey is COEHCJSWPASVRC-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-9-7-5-3-2-4-6-8-10-14-12(11)13/h14H,2-10,13H2,1H3/b12-11-.
What are the key properties of (2Z)-3-methyl-1-azacyclododec-2-en-2-amine?
(2Z)-3-methyl-1-azacyclododec-2-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-1-azacyclododec-2-en-2-amine is sourced from PubChem (CID 155373345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).