N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine

C13H22N2 — CID 143004823

IUPACN-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCC1=NC=CC=CC1)C(C)(C)C
InChIInChI=1S/C13H22N2/c1-13(2,3)15(4)11-9-12-8-6-5-7-10-14-12/h5-7,10H,8-9,11H2,1-4H3
InChIKeyNZXKNNLGSUJNEY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds3

About N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine

N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 143004823) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine
PubChem CID143004823
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCC1=NC=CC=CC1)C(C)(C)C
InChIInChI=1S/C13H22N2/c1-13(2,3)15(4)11-9-12-8-6-5-7-10-14-12/h5-7,10H,8-9,11H2,1-4H3
InChIKeyNZXKNNLGSUJNEY-UHFFFAOYSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(azepan-1-yl)-N-methylhexa-3,5-dien-2-imine
CID 123991348
(Z)-5-ethenylimino-N-ethyl-N-methyloct-6-en-1-amine
CID 134386167
(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine
CID 137446331
2-(3H-azepin-4-yl)-N,N-dimethylethanamine
CID 142206849
N-[2-(3H-azepin-5-yl)ethyl]-N-methylbutan-1-amine
CID 142257717
2-(3H-azepin-2-yl)-N,N-dimethylethanamine
CID 143004768
ethane;(3E)-5-methyl-4-methylidene-1-[(Z)-prop-1-enyl]-3-prop-2-enylidene-2H-pyrrol-1-ium
CID 145695705
N-methyl-1-(1-methyl-2H-pyridin-2-yl)propan-1-imine
CID 146647272
(4Z)-1-tert-butyl-N-ethenyl-4-prop-2-enylidenepiperidin-3-imine
CID 167290482
(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine
CID 167290552
(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine
CID 167290553
1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine
CID 142987087

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine (CID 143004823) is N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine is CN(CCC1=NC=CC=CC1)C(C)(C)C.
What is the InChIKey of N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is NZXKNNLGSUJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)15(4)11-9-12-8-6-5-7-10-14-12/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine?
N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-azepin-2-yl)ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 143004823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).