1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine

C18H23N3 — CID 122082454

IUPAC1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine
SMILESCCC(C)N/C(N)=N/[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H23N3/c1-3-12(2)20-18(19)21-17-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-17H,3,11H2,1-2H3,(H3,19,20,21)/t12?,16-,17+/m0/s1
InChIKeyMOMYHZBILJESPY-CRRZLINXSA-N
MW281.40 g/mol
LogP3.40
Rot. Bonds4

About 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine

1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine (PubChem CID 122082454) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine
PubChem CID122082454
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine
SMILESCCC(C)N/C(N)=N/[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H23N3/c1-3-12(2)20-18(19)21-17-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-17H,3,11H2,1-2H3,(H3,19,20,21)/t12?,16-,17+/m0/s1
InChIKeyMOMYHZBILJESPY-CRRZLINXSA-N
XLogP3.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
N-[(2-naphthalen-2-ylcyclopropyl)methyl]propan-2-amine
CID 62708560
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119998352
1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111819280
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
2-[(1R,2R)-2-butylcyclopropyl]naphthalene
CID 102005653
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119519297
2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine
CID 95274512

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine?
The IUPAC name of 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine (CID 122082454) is 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine?
The canonical SMILES for 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine is CCC(C)N/C(N)=N/[C@@H]1C[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine?
The InChIKey is MOMYHZBILJESPY-CRRZLINXSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-12(2)20-18(19)21-17-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16-17H,3,11H2,1-2H3,(H3,19,20,21)/t12?,16-,17+/m0/s1.
What are the key properties of 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine?
1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine has a molecular weight of 281.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]guanidine is sourced from PubChem (CID 122082454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).