N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine

C12H20N2 — CID 142450090

IUPACN-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine
SMILESCNCC1(C)C=CC(C(C)C)=CN=C1
InChIInChI=1S/C12H20N2/c1-10(2)11-5-6-12(3,8-13-4)9-14-7-11/h5-7,9-10,13H,8H2,1-4H3
InChIKeyIHIPEGUUIMDVKL-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine

N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine (PubChem CID 142450090) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine
PubChem CID142450090
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine
SMILESCNCC1(C)C=CC(C(C)C)=CN=C1
InChIInChI=1S/C12H20N2/c1-10(2)11-5-6-12(3,8-13-4)9-14-7-11/h5-7,9-10,13H,8H2,1-4H3
InChIKeyIHIPEGUUIMDVKL-UHFFFAOYSA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
N-ethenyl-3-methyl-5-propan-2-ylazepin-3-amine
CID 135136374
(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine
CID 138480695
3,3-Dimethyl-6-propan-2-ylazepine
CID 139307686
(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine
CID 139420743
N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine
CID 142078579
(1E,3Z,5E)-2-(6,6-dimethylazepin-3-yl)hepta-1,3,5-trien-1-amine;ethane
CID 142157795
ethane;(1E)-1-[(4Z)-4-ethylidene-3-pyridinylidene]-N-methylmethanamine
CID 143234855
4-ethenyl-N,6,6-trimethylazepin-3-amine
CID 143260189
3-ethenyl-N,6,6-trimethylazepin-2-amine
CID 143533139
(1Z,3E,4Z)-3-ethylidene-N-methyl-4-(methyliminomethyl)hepta-1,4-dien-1-amine
CID 145071780
(1E,3Z)-5-methylimino-2-propan-2-ylpenta-1,3-dien-1-amine
CID 146613802

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine (CID 142450090) is N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine is CNCC1(C)C=CC(C(C)C)=CN=C1.
What is the InChIKey of N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine?
The InChIKey is IHIPEGUUIMDVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)11-5-6-12(3,8-13-4)9-14-7-11/h5-7,9-10,13H,8H2,1-4H3.
What are the key properties of N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine?
N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine is sourced from PubChem (CID 142450090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).