1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)

C14H29F4N7 — CID 176517336

IUPAC1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)
SMILESNC1CCC(F)(F)CC1.NC1CCC(F)(F)CC1.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/2C6H11F2N.C2H7N5/c2*7-6(8)3-1-5(9)2-4-6;3-1(4)7-2(5)6/h2*5H,1-4,9H2;(H7,3,4,5,6,7)
InChIKeySLGZQQWOKBSMMN-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.41
Rot. Bonds

About 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)

1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine) (PubChem CID 176517336) has the molecular formula C14H29F4N7 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine).

Molecular Properties

Compound Name1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)
PubChem CID176517336
Molecular FormulaC14H29F4N7
Molecular Weight371.43 g/mol
Exact Mass371.24
IUPAC Name1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)
SMILESNC1CCC(F)(F)CC1.NC1CCC(F)(F)CC1.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/2C6H11F2N.C2H7N5/c2*7-6(8)3-1-5(9)2-4-6;3-1(4)7-2(5)6/h2*5H,1-4,9H2;(H7,3,4,5,6,7)
InChIKeySLGZQQWOKBSMMN-UHFFFAOYSA-N
XLogP1.41
TPSA163.81 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 51.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)?
The IUPAC name of 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine) (CID 176517336) is 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine).
What is the SMILES notation for 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)?
The canonical SMILES for 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine) is NC1CCC(F)(F)CC1.NC1CCC(F)(F)CC1.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)?
The InChIKey is SLGZQQWOKBSMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11F2N.C2H7N5/c2*7-6(8)3-1-5(9)2-4-6;3-1(4)7-2(5)6/h2*5H,1-4,9H2;(H7,3,4,5,6,7).
What are the key properties of 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine)?
1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine) has a molecular weight of 371.43 g/mol, XLogP of 1.41, 0 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;bis(4,4-difluorocyclohexan-1-amine) is sourced from PubChem (CID 176517336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).