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

C17H28N2 — CID 63155129

IUPACN-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
SMILESCCNC(C)CCCN1CCCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-3-18-15(2)8-6-12-19-13-7-11-16-9-4-5-10-17(16)14-19/h4-5,9-10,15,18H,3,6-8,11-14H2,1-2H3
InChIKeyAPLUKESUZGEBLZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds6

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

N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine (PubChem CID 63155129) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
PubChem CID63155129
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
SMILESCCNC(C)CCCN1CCCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-3-18-15(2)8-6-12-19-13-7-11-16-9-4-5-10-17(16)14-19/h4-5,9-10,15,18H,3,6-8,11-14H2,1-2H3
InChIKeyAPLUKESUZGEBLZ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-2-amine
CID 63189420
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
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-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 63154774
1-(1,3-dihydroisoindol-2-yl)-N-ethylpropan-2-amine
CID 62205194
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine (CID 63155129) is N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine is CCNC(C)CCCN1CCCc2ccccc2C1.
What is the InChIKey of N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
The InChIKey is APLUKESUZGEBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-18-15(2)8-6-12-19-13-7-11-16-9-4-5-10-17(16)14-19/h4-5,9-10,15,18H,3,6-8,11-14H2,1-2H3.
What are the key properties of N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine is sourced from PubChem (CID 63155129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).