ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine

C11H20N2 — CID 145278548

IUPACethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine
SMILESCC.CNCC1=CC=CC(C)C=N1
InChIInChI=1S/C9H14N2.C2H6/c1-8-4-3-5-9(7-10-2)11-6-8;1-2/h3-6,8,10H,7H2,1-2H3;1-2H3
InChIKeyMONPVUATEVFKQZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.39
Rot. Bonds2

About ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine

ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine (PubChem CID 145278548) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine
PubChem CID145278548
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine
SMILESCC.CNCC1=CC=CC(C)C=N1
InChIInChI=1S/C9H14N2.C2H6/c1-8-4-3-5-9(7-10-2)11-6-8;1-2/h3-6,8,10H,7H2,1-2H3;1-2H3
InChIKeyMONPVUATEVFKQZ-UHFFFAOYSA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine
CID 145145037
(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine
CID 88918558
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
5-Methyl-1,5-dihydropyrrolo[2,3-c]azepine
CID 89029100
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 123695228
5-[[(3E,5Z)-4-amino-5-methylhepta-3,5-dienylidene]amino]cyclohepta-1,4,6-trien-1-amine
CID 126495814
N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
CID 129126581
2-ethyl-N,6,6-trimethylazepin-3-amine
CID 138573251
(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane
CID 142082836
N-methyl-3H-azepin-6-amine
CID 142969700
4-ethenyl-N,6,6-trimethylazepin-3-amine
CID 143260189
5-ethenyl-N,7,7-trimethylazepin-4-amine
CID 143294895

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine (CID 145278548) is ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine is CC.CNCC1=CC=CC(C)C=N1.
What is the InChIKey of ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine?
The InChIKey is MONPVUATEVFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-8-4-3-5-9(7-10-2)11-6-8;1-2/h3-6,8,10H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine?
ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine is sourced from PubChem (CID 145278548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).