N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide

C21H30N4O — CID 10959176

IUPACN-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
SMILESCC(=O)N(CCCN)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H30N4O/c1-16(26)25(14-6-12-22)15-7-13-23-21-17-8-2-4-10-19(17)24-20-11-5-3-9-18(20)21/h2,4,8,10H,3,5-7,9,11-15,22H2,1H3,(H,23,24)
InChIKeyGDLIFRVGCIDUBB-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.11
Rot. Bonds8

About N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide

N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide (PubChem CID 10959176) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
PubChem CID10959176
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
SMILESCC(=O)N(CCCN)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H30N4O/c1-16(26)25(14-6-12-22)15-7-13-23-21-17-8-2-4-10-19(17)24-20-11-5-3-9-18(20)21/h2,4,8,10H,3,5-7,9,11-15,22H2,1H3,(H,23,24)
InChIKeyGDLIFRVGCIDUBB-UHFFFAOYSA-N
XLogP3.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 21153756
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide (CID 10959176) is N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide is CC(=O)N(CCCN)CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
The InChIKey is GDLIFRVGCIDUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(26)25(14-6-12-22)15-7-13-23-21-17-8-2-4-10-19(17)24-20-11-5-3-9-18(20)21/h2,4,8,10H,3,5-7,9,11-15,22H2,1H3,(H,23,24).
What are the key properties of N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide?
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide is sourced from PubChem (CID 10959176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).