lithium N,N-dibenzylcyclopropanamine

C17H18LiN — CID 134888964

IUPAClithium N,N-dibenzylcyclopropanamine
SMILES[Li+].c1ccc(CN(Cc2ccccc2)[C@@H]2[CH-]C2)cc1
InChIInChI=1S/C17H18N.Li/c1-3-7-15(8-4-1)13-18(17-11-12-17)14-16-9-5-2-6-10-16;/h1-11,17H,12-14H2;/q-1;+1/t17-;/m1./s1
InChIKeyAEISXNVXMYTQDR-UNTBIKODSA-N
MW243.28 g/mol
LogP0.67
Rot. Bonds5

About lithium N,N-dibenzylcyclopropanamine

lithium N,N-dibenzylcyclopropanamine (PubChem CID 134888964) has the molecular formula C17H18LiN and a molecular weight of 243.28 g/mol. Its IUPAC name is lithium N,N-dibenzylcyclopropanamine.

Molecular Properties

Compound Namelithium N,N-dibenzylcyclopropanamine
PubChem CID134888964
Molecular FormulaC17H18LiN
Molecular Weight243.28 g/mol
Exact Mass243.16
IUPAC Namelithium N,N-dibenzylcyclopropanamine
SMILES[Li+].c1ccc(CN(Cc2ccccc2)[C@@H]2[CH-]C2)cc1
InChIInChI=1S/C17H18N.Li/c1-3-7-15(8-4-1)13-18(17-11-12-17)14-16-9-5-2-6-10-16;/h1-11,17H,12-14H2;/q-1;+1/t17-;/m1./s1
InChIKeyAEISXNVXMYTQDR-UNTBIKODSA-N
XLogP0.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzylcyclobutanamine
CID 70822586
lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
CID 174874760
(1R)-N,N-dibenzylcyclohept-2-en-1-amine
CID 139091236
(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 10912863
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
N,N-dibenzylaniline
CID 139071697
4-(dibenzylamino)oxolan-3-ol
CID 130502990
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dibenzylcyclopropanamine?
The IUPAC name of lithium N,N-dibenzylcyclopropanamine (CID 134888964) is lithium N,N-dibenzylcyclopropanamine.
What is the SMILES notation for lithium N,N-dibenzylcyclopropanamine?
The canonical SMILES for lithium N,N-dibenzylcyclopropanamine is [Li+].c1ccc(CN(Cc2ccccc2)[C@@H]2[CH-]C2)cc1.
What is the InChIKey of lithium N,N-dibenzylcyclopropanamine?
The InChIKey is AEISXNVXMYTQDR-UNTBIKODSA-N. The full InChI is InChI=1S/C17H18N.Li/c1-3-7-15(8-4-1)13-18(17-11-12-17)14-16-9-5-2-6-10-16;/h1-11,17H,12-14H2;/q-1;+1/t17-;/m1./s1.
What are the key properties of lithium N,N-dibenzylcyclopropanamine?
lithium N,N-dibenzylcyclopropanamine has a molecular weight of 243.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dibenzylcyclopropanamine is sourced from PubChem (CID 134888964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).