N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine

C11H18N2 — CID 142078579

IUPACN-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine
SMILESCNCC1=C(C)N=CC(C)(C)C=C1
InChIInChI=1S/C11H18N2/c1-9-10(7-12-4)5-6-11(2,3)8-13-9/h5-6,8,12H,7H2,1-4H3
InChIKeySKROCEAAQZVOKU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds2

About N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine

N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine (PubChem CID 142078579) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine
PubChem CID142078579
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine
SMILESCNCC1=C(C)N=CC(C)(C)C=C1
InChIInChI=1S/C11H18N2/c1-9-10(7-12-4)5-6-11(2,3)8-13-9/h5-6,8,12H,7H2,1-4H3
InChIKeySKROCEAAQZVOKU-UHFFFAOYSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
3,4,8,8-tetramethyl-1H-1,10-phenanthroline
CID 88519204
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine
CID 123150234
(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine
CID 123660696
N,6,6-trimethyl-2-(3,6,6-trimethylazepin-2-yl)azepin-3-amine
CID 132030070
(3Z)-5,6-bis(ethenyl)-N-methyl-4-(methyliminomethyl)octa-1,3,5,7-tetraen-3-amine
CID 132046352
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933
2-(Aminomethyl)-6,6-dimethylazepin-3-amine
CID 132193472
2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine
CID 134292011
2-ethyl-N,6,6-trimethylazepin-3-amine
CID 138573251

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine (CID 142078579) is N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine is CNCC1=C(C)N=CC(C)(C)C=C1.
What is the InChIKey of N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine?
The InChIKey is SKROCEAAQZVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-10(7-12-4)5-6-11(2,3)8-13-9/h5-6,8,12H,7H2,1-4H3.
What are the key properties of N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine?
N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine is sourced from PubChem (CID 142078579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).