6-propan-2-ylnaphthalene-2-carboximidamide

C14H16N2 — CID 138525860

IUPAC6-propan-2-ylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C14H16N2/c1-9(2)10-3-4-12-8-13(14(15)16)6-5-11(12)7-10/h3-9H,1-2H3,(H3,15,16)
InChIKeyCCQYGGNUTXITRM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.25
Rot. Bonds2

About 6-propan-2-ylnaphthalene-2-carboximidamide

6-propan-2-ylnaphthalene-2-carboximidamide (PubChem CID 138525860) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-propan-2-ylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-propan-2-ylnaphthalene-2-carboximidamide
PubChem CID138525860
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6-propan-2-ylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C14H16N2/c1-9(2)10-3-4-12-8-13(14(15)16)6-5-11(12)7-10/h3-9H,1-2H3,(H3,15,16)
InChIKeyCCQYGGNUTXITRM-UHFFFAOYSA-N
XLogP3.25
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.25
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

2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
CID 140981325
6-methoxynaphthalene-2-carboximidamide
CID 3274917
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
2-(6-carbamimidoylnaphthalen-2-yl)hexanoic acid
CID 172759822
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
2-(6-carbamimidoylnaphthalen-2-yl)-2-phenylacetic acid;methanesulfonic acid
CID 162176375
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10156588
4-[[3-[(4-carbamimidoylphenoxy)methyl]-5-propan-2-ylphenyl]methoxy]benzenecarboximidamide
CID 157409962
(6-carbamimidoylnaphthalen-2-yl) methanesulfonate
CID 13050560
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylnaphthalene-2-carboximidamide?
The IUPAC name of 6-propan-2-ylnaphthalene-2-carboximidamide (CID 138525860) is 6-propan-2-ylnaphthalene-2-carboximidamide.
What is the SMILES notation for 6-propan-2-ylnaphthalene-2-carboximidamide?
The canonical SMILES for 6-propan-2-ylnaphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(C(C)C)ccc2c1.
What is the InChIKey of 6-propan-2-ylnaphthalene-2-carboximidamide?
The InChIKey is CCQYGGNUTXITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9(2)10-3-4-12-8-13(14(15)16)6-5-11(12)7-10/h3-9H,1-2H3,(H3,15,16).
What are the key properties of 6-propan-2-ylnaphthalene-2-carboximidamide?
6-propan-2-ylnaphthalene-2-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylnaphthalene-2-carboximidamide is sourced from PubChem (CID 138525860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).