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

C16H26N2 — CID 63153432

IUPACN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCCc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-14(2)17-10-12-18-11-6-9-15-7-4-5-8-16(15)13-18/h4-5,7-8,14,17H,3,6,9-13H2,1-2H3
InChIKeyCYPLPZWVJGMBQH-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds5

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

N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine (PubChem CID 63153432) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
PubChem CID63153432
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCCc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-14(2)17-10-12-18-11-6-9-15-7-4-5-8-16(15)13-18/h4-5,7-8,14,17H,3,6,9-13H2,1-2H3
InChIKeyCYPLPZWVJGMBQH-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155129
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
CID 55085155
N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 63154774
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine (CID 63153432) is N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine is CCC(C)NCCN1CCCc2ccccc2C1.
What is the InChIKey of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine?
The InChIKey is CYPLPZWVJGMBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14(2)17-10-12-18-11-6-9-15-7-4-5-8-16(15)13-18/h4-5,7-8,14,17H,3,6,9-13H2,1-2H3.
What are the key properties of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine?
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 63153432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).