N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine

C18H30N2 — CID 63154774

IUPACN-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
SMILESCCNC(CN1CCCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C18H30N2/c1-5-19-17(18(2,3)4)14-20-12-8-11-15-9-6-7-10-16(15)13-20/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyNNHAOUGHCINDDG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine

N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine (PubChem CID 63154774) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
PubChem CID63154774
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
SMILESCCNC(CN1CCCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C18H30N2/c1-5-19-17(18(2,3)4)14-20-12-8-11-15-9-6-7-10-16(15)13-20/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyNNHAOUGHCINDDG-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine with MolForge

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Related Compounds

N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
CID 75524597
(2S)-3-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 112736651
N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155129
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
CID 115873061
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575
N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 78886795
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine (CID 63154774) is N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine is CCNC(CN1CCCc2ccccc2C1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine?
The InChIKey is NNHAOUGHCINDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-19-17(18(2,3)4)14-20-12-8-11-15-9-6-7-10-16(15)13-20/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine is sourced from PubChem (CID 63154774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).