1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine

C15H35N5O — CID 104883020

IUPAC1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC(C)CCCN(CC)CC
InChIInChI=1S/C15H35N5O/c1-5-20(6-2)12-8-10-14(4)18-15(19-16)17-11-9-13-21-7-3/h14H,5-13,16H2,1-4H3,(H2,17,18,19)
InChIKeyZXDZHEULHPRAGP-UHFFFAOYSA-N
MW301.48 g/mol
LogP1.33
Rot. Bonds12

About 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine

1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine (PubChem CID 104883020) has the molecular formula C15H35N5O and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine
PubChem CID104883020
Molecular FormulaC15H35N5O
Molecular Weight301.48 g/mol
Exact Mass301.28
IUPAC Name1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC(C)CCCN(CC)CC
InChIInChI=1S/C15H35N5O/c1-5-20(6-2)12-8-10-14(4)18-15(19-16)17-11-9-13-21-7-3/h14H,5-13,16H2,1-4H3,(H2,17,18,19)
InChIKeyZXDZHEULHPRAGP-UHFFFAOYSA-N
XLogP1.33
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine (CID 104883020) is 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\NN)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine?
The InChIKey is ZXDZHEULHPRAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5O/c1-5-20(6-2)12-8-10-14(4)18-15(19-16)17-11-9-13-21-7-3/h14H,5-13,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine?
1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine has a molecular weight of 301.48 g/mol, XLogP of 1.33, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104883020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).