(4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine

C22H37N3 — CID 11725008

IUPAC(4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1c2c(nc3c1CCCC3)CCCC2
InChIInChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)/t17-/m0/s1
InChIKeyYKORLKMHNGQVSH-KRWDZBQOSA-N
MW343.56 g/mol
LogP4.76
Rot. Bonds8

About (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine

(4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine (PubChem CID 11725008) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine
PubChem CID11725008
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name(4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1c2c(nc3c1CCCC3)CCCC2
InChIInChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)/t17-/m0/s1
InChIKeyYKORLKMHNGQVSH-KRWDZBQOSA-N
XLogP4.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine?
The IUPAC name of (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine (CID 11725008) is (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine.
What is the SMILES notation for (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine?
The canonical SMILES for (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine is CCN(CC)CCC[C@H](C)Nc1c2c(nc3c1CCCC3)CCCC2.
What is the InChIKey of (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine?
The InChIKey is YKORLKMHNGQVSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine?
(4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine has a molecular weight of 343.56 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-N,1-N-diethyl-4-N-(1,2,3,4,5,6,7,8-octahydroacridin-9-yl)pentane-1,4-diamine is sourced from PubChem (CID 11725008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).