(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine

C35H55NOSn — CID 10746492

IUPAC(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H](C1=CCCC1)[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H28NO.3C4H9.Sn/c1-19(23(25-2)22-15-9-10-16-22)24(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21;3*1-3-4-2;/h3-8,11-15,19,23H,2,9-10,16-18H2,1H3;3*1,3-4H2,2H3;/t19-,23+;;;;/m0..../s1
InChIKeyLHMWRTKCTODFSW-GRZPZBPMSA-N
MW624.54 g/mol
LogP9.96
Rot. Bonds19

About (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine

(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine (PubChem CID 10746492) has the molecular formula C35H55NOSn and a molecular weight of 624.54 g/mol. Its IUPAC name is (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine.

Molecular Properties

Compound Name(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine
PubChem CID10746492
Molecular FormulaC35H55NOSn
Molecular Weight624.54 g/mol
Exact Mass625.33
IUPAC Name(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H](C1=CCCC1)[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H28NO.3C4H9.Sn/c1-19(23(25-2)22-15-9-10-16-22)24(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21;3*1-3-4-2;/h3-8,11-15,19,23H,2,9-10,16-18H2,1H3;3*1,3-4H2,2H3;/t19-,23+;;;;/m0..../s1
InChIKeyLHMWRTKCTODFSW-GRZPZBPMSA-N
XLogP9.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.54
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
CID 14660998
[(3R)-3-(cyclopenten-1-yl)heptyl]benzene
CID 72713164
(1S,2S)-1-(cyclopenten-1-yl)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 10993642
N-benzyl-N-(tributylstannylmethyl)butan-1-amine
CID 10766617
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(2S,3S)-2-N,2-N,3-N-tribenzylheptane-2,3-diamine
CID 14791984
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
CID 101463161
3-[benzyl(propyl)amino]butan-2-ol
CID 131042967
3-[benzyl(octyl)amino]-4-methylpentanoic acid
CID 23067239
N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
CID 142069158

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine?
The IUPAC name of (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine (CID 10746492) is (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine.
What is the SMILES notation for (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine?
The canonical SMILES for (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine is CCCC[Sn](CCCC)(CCCC)CO[C@@H](C1=CCCC1)[C@H](C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine?
The InChIKey is LHMWRTKCTODFSW-GRZPZBPMSA-N. The full InChI is InChI=1S/C23H28NO.3C4H9.Sn/c1-19(23(25-2)22-15-9-10-16-22)24(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21;3*1-3-4-2;/h3-8,11-15,19,23H,2,9-10,16-18H2,1H3;3*1,3-4H2,2H3;/t19-,23+;;;;/m0..../s1.
What are the key properties of (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine?
(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine has a molecular weight of 624.54 g/mol, XLogP of 9.96, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine is sourced from PubChem (CID 10746492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).