1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine

C14H27N3 — CID 122097884

IUPAC1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine
SMILESC=CCC1(CN=C(N(C)C)N(C)C)CCCC1
InChIInChI=1S/C14H27N3/c1-6-9-14(10-7-8-11-14)12-15-13(16(2)3)17(4)5/h6H,1,7-12H2,2-5H3
InChIKeyBWRSNKLWSFRPGU-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.60
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine

1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine (PubChem CID 122097884) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine
PubChem CID122097884
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine
SMILESC=CCC1(CN=C(N(C)C)N(C)C)CCCC1
InChIInChI=1S/C14H27N3/c1-6-9-14(10-7-8-11-14)12-15-13(16(2)3)17(4)5/h6H,1,7-12H2,2-5H3
InChIKeyBWRSNKLWSFRPGU-UHFFFAOYSA-N
XLogP2.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine (CID 122097884) is 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine is C=CCC1(CN=C(N(C)C)N(C)C)CCCC1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine?
The InChIKey is BWRSNKLWSFRPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-9-14(10-7-8-11-14)12-15-13(16(2)3)17(4)5/h6H,1,7-12H2,2-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine?
1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 122097884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).