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

C19H32N2 — CID 63153082

IUPACN-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
SMILESCCNC(CCN1CCCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C19H32N2/c1-5-20-18(19(2,3)4)12-14-21-13-8-11-16-9-6-7-10-17(16)15-21/h6-7,9-10,18,20H,5,8,11-15H2,1-4H3
InChIKeyCMLQTCPYQBVFKE-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds5

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

N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine (PubChem CID 63153082) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
PubChem CID63153082
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
SMILESCCNC(CCN1CCCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C19H32N2/c1-5-20-18(19(2,3)4)12-14-21-13-8-11-16-9-6-7-10-17(16)15-21/h6-7,9-10,18,20H,5,8,11-15H2,1-4H3
InChIKeyCMLQTCPYQBVFKE-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 63154774
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-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
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]propan-1-amine
CID 63155260
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 55165611
2,2-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanenitrile
CID 65251831
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine (CID 63153082) is N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine is CCNC(CCN1CCCc2ccccc2C1)C(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine?
The InChIKey is CMLQTCPYQBVFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-18(19(2,3)4)12-14-21-13-8-11-16-9-6-7-10-17(16)15-21/h6-7,9-10,18,20H,5,8,11-15H2,1-4H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine?
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine is sourced from PubChem (CID 63153082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).