2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine

C14H29N3 — CID 62361423

IUPAC2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
SMILESCCCCCN(/C(N)=N/C1CCCC1)C(C)C
InChIInChI=1S/C14H29N3/c1-4-5-8-11-17(12(2)3)14(15)16-13-9-6-7-10-13/h12-13H,4-11H2,1-3H3,(H2,15,16)
InChIKeyKXYLLGCAAHWUDQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.14
Rot. Bonds6

About 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine

2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine (PubChem CID 62361423) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
PubChem CID62361423
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
SMILESCCCCCN(/C(N)=N/C1CCCC1)C(C)C
InChIInChI=1S/C14H29N3/c1-4-5-8-11-17(12(2)3)14(15)16-13-9-6-7-10-13/h12-13H,4-11H2,1-3H3,(H2,15,16)
InChIKeyKXYLLGCAAHWUDQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.14
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-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
CID 62362135
2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 104883616
2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
CID 174660091
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 62363378
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine?
The IUPAC name of 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine (CID 62361423) is 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine?
The canonical SMILES for 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine is CCCCCN(/C(N)=N/C1CCCC1)C(C)C.
What is the InChIKey of 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine?
The InChIKey is KXYLLGCAAHWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-5-8-11-17(12(2)3)14(15)16-13-9-6-7-10-13/h12-13H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine?
2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine has a molecular weight of 239.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine is sourced from PubChem (CID 62361423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).