1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine

C13H26N4 — CID 104883015

IUPAC1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C(C)C1CC2CCC1C2)NN
InChIInChI=1S/C13H26N4/c1-8(2)15-13(17-14)16-9(3)12-7-10-4-5-11(12)6-10/h8-12H,4-7,14H2,1-3H3,(H2,15,16,17)
InChIKeyABLVQSWPABVJKQ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.63
Rot. Bonds3

About 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine

1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine (PubChem CID 104883015) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine
PubChem CID104883015
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C(C)C1CC2CCC1C2)NN
InChIInChI=1S/C13H26N4/c1-8(2)15-13(17-14)16-9(3)12-7-10-4-5-11(12)6-10/h8-12H,4-7,14H2,1-3H3,(H2,15,16,17)
InChIKeyABLVQSWPABVJKQ-UHFFFAOYSA-N
XLogP1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine
CID 104885602
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine
CID 62364272
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-(benzenesulfonyl)-N'-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenecarboximidamide
CID 98186761
N-(benzenesulfonyl)-N'-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenecarboximidamide
CID 98186762
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylthiourea
CID 98393045

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine (CID 104883015) is 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine is CC(C)N/C(=N\C(C)C1CC2CCC1C2)NN.
What is the InChIKey of 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine?
The InChIKey is ABLVQSWPABVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-8(2)15-13(17-14)16-9(3)12-7-10-4-5-11(12)6-10/h8-12H,4-7,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine?
1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine has a molecular weight of 238.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 104883015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).