2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine

C12H25N3 — CID 62362135

IUPAC2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
SMILESCCCCCN(/C(N)=N/C1CC1)C(C)C
InChIInChI=1S/C12H25N3/c1-4-5-6-9-15(10(2)3)12(13)14-11-7-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyOAQQMCJAQQJXNY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.36
Rot. Bonds6

About 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine

2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine (PubChem CID 62362135) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
PubChem CID62362135
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
SMILESCCCCCN(/C(N)=N/C1CC1)C(C)C
InChIInChI=1S/C12H25N3/c1-4-5-6-9-15(10(2)3)12(13)14-11-7-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyOAQQMCJAQQJXNY-UHFFFAOYSA-N
XLogP2.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
CID 62361423
2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
CID 63612231
N'-cyclopropylpentanimidamide
CID 79413074
2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 112660677
zinc;N-octadecyl-N-propan-2-ylcarbamothioate;carbamothioate
CID 87780648
2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
CID 174660091
3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 104883616
2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102994219

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine?
The IUPAC name of 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine (CID 62362135) is 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine?
The canonical SMILES for 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine is CCCCCN(/C(N)=N/C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine?
The InChIKey is OAQQMCJAQQJXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-5-6-9-15(10(2)3)12(13)14-11-7-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine?
2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine is sourced from PubChem (CID 62362135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).