1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine

C18H35N7 — CID 158227606

IUPAC1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
SMILESNC1CC1N.NC1CCC1N.NC1CN(Cc2ccccc2)CC1N
InChIInChI=1S/C11H17N3.C4H10N2.C3H8N2/c12-10-7-14(8-11(10)13)6-9-4-2-1-3-5-9;5-3-1-2-4(3)6;4-2-1-3(2)5/h1-5,10-11H,6-8,12-13H2;3-4H,1-2,5-6H2;2-3H,1,4-5H2
InChIKeyGDZJJMUCAOJJIP-UHFFFAOYSA-N
MW349.53 g/mol
LogP-1.36
Rot. Bonds2

About 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine

1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine (PubChem CID 158227606) has the molecular formula C18H35N7 and a molecular weight of 349.53 g/mol. Its IUPAC name is 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine.

Molecular Properties

Compound Name1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
PubChem CID158227606
Molecular FormulaC18H35N7
Molecular Weight349.53 g/mol
Exact Mass349.30
IUPAC Name1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
SMILESNC1CC1N.NC1CCC1N.NC1CN(Cc2ccccc2)CC1N
InChIInChI=1S/C11H17N3.C4H10N2.C3H8N2/c12-10-7-14(8-11(10)13)6-9-4-2-1-3-5-9;5-3-1-2-4(3)6;4-2-1-3(2)5/h1-5,10-11H,6-8,12-13H2;3-4H,1-2,5-6H2;2-3H,1,4-5H2
InChIKeyGDZJJMUCAOJJIP-UHFFFAOYSA-N
XLogP-1.36
TPSA159.36 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.53
LogP ≤ 5-1.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
(3aR,4R,7S,7aS)-2-benzyl-7-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82385393
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(3S,4R)-1-benzyl-4-(difluoromethyl)pyrrolidin-3-amine
CID 146050042
(3R,4R)-4-amino-1-benzylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67778714
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine?
The IUPAC name of 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine (CID 158227606) is 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine.
What is the SMILES notation for 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine?
The canonical SMILES for 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine is NC1CC1N.NC1CCC1N.NC1CN(Cc2ccccc2)CC1N.
What is the InChIKey of 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine?
The InChIKey is GDZJJMUCAOJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C4H10N2.C3H8N2/c12-10-7-14(8-11(10)13)6-9-4-2-1-3-5-9;5-3-1-2-4(3)6;4-2-1-3(2)5/h1-5,10-11H,6-8,12-13H2;3-4H,1-2,5-6H2;2-3H,1,4-5H2.
What are the key properties of 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine?
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine has a molecular weight of 349.53 g/mol, XLogP of -1.36, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine is sourced from PubChem (CID 158227606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).