(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine

C23H34N2 — CID 155935553

IUPAC(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H34N2/c1-4-24(5-2)18-12-13-21(3)25(19-22-14-8-6-9-15-22)20-23-16-10-7-11-17-23/h6-11,14-17,21H,4-5,12-13,18-20H2,1-3H3/t21-/m0/s1
InChIKeyQOCFZCKKVYTCJB-NRFANRHFSA-N
MW338.54 g/mol
LogP5.20
Rot. Bonds11

About (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine

(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 155935553) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID155935553
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H34N2/c1-4-24(5-2)18-12-13-21(3)25(19-22-14-8-6-9-15-22)20-23-16-10-7-11-17-23/h6-11,14-17,21H,4-5,12-13,18-20H2,1-3H3/t21-/m0/s1
InChIKeyQOCFZCKKVYTCJB-NRFANRHFSA-N
XLogP5.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
N-benzyl-4-bromo-N-[5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 42695693
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 42704638
N,N-diethylpropan-1-amine;ethylbenzene
CID 142078527
3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-[5-(diethylamino)pentan-2-yl]urea
CID 42704635

Frequently Asked Questions

What is the IUPAC name of (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine (CID 155935553) is (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCC[C@H](C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is QOCFZCKKVYTCJB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H34N2/c1-4-24(5-2)18-12-13-21(3)25(19-22-14-8-6-9-15-22)20-23-16-10-7-11-17-23/h6-11,14-17,21H,4-5,12-13,18-20H2,1-3H3/t21-/m0/s1.
What are the key properties of (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine?
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 338.54 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 155935553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).