N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine

C18H28N2 — CID 63300428

IUPACN-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C1CCCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-13-20(16-11-12-19-14-16)18-10-6-4-8-15-7-3-5-9-17(15)18/h3,5,7,9,16,18-19H,2,4,6,8,10-14H2,1H3
InChIKeyQZQUQTXVRMCNCP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds4

About N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine

N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine (PubChem CID 63300428) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine
PubChem CID63300428
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C1CCCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-13-20(16-11-12-19-14-16)18-10-6-4-8-15-7-3-5-9-17(15)18/h3,5,7,9,16,18-19H,2,4,6,8,10-14H2,1H3
InChIKeyQZQUQTXVRMCNCP-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 55203622
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 83069157
N-piperidin-4-yl-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119825779
N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 119532727
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
(1S)-N-cyclopropyl-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 95164534
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
N-(4-methylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 63300696
N-(3-methylcyclobutyl)-N-propylpyrrolidin-3-amine
CID 104973725
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-(3-methylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 63300868

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine?
The IUPAC name of N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine (CID 63300428) is N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine?
The canonical SMILES for N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine is CCCN(C1CCNC1)C1CCCCc2ccccc21.
What is the InChIKey of N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine?
The InChIKey is QZQUQTXVRMCNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-13-20(16-11-12-19-14-16)18-10-6-4-8-15-7-3-5-9-17(15)18/h3,5,7,9,16,18-19H,2,4,6,8,10-14H2,1H3.
What are the key properties of N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine?
N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 63300428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).