N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane

C13H35N5 — CID 143220499

IUPACN-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane
SMILESCCC.CCCNCCN(N)CCN(N)CCC
InChIInChI=1S/C10H27N5.C3H8/c1-3-5-13-6-8-15(12)10-9-14(11)7-4-2;1-3-2/h13H,3-12H2,1-2H3;3H2,1-2H3
InChIKeyNASYFGCWYCJYMR-UHFFFAOYSA-N
MW261.46 g/mol
LogP1.16
Rot. Bonds10

About N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane

N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane (PubChem CID 143220499) has the molecular formula C13H35N5 and a molecular weight of 261.46 g/mol. Its IUPAC name is N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane.

Molecular Properties

Compound NameN-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane
PubChem CID143220499
Molecular FormulaC13H35N5
Molecular Weight261.46 g/mol
Exact Mass261.29
IUPAC NameN-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane
SMILESCCC.CCCNCCN(N)CCN(N)CCC
InChIInChI=1S/C10H27N5.C3H8/c1-3-5-13-6-8-15(12)10-9-14(11)7-4-2;1-3-2/h13H,3-12H2,1-2H3;3H2,1-2H3
InChIKeyNASYFGCWYCJYMR-UHFFFAOYSA-N
XLogP1.16
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.46
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[amino(propyl)amino]ethyl]propan-1-amine
CID 143220507
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
azane;N'-propylethane-1,2-diamine
CID 87476258
N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine
CID 163795998
N-propyl-N-[2-(propylamino)ethyl]acetamide
CID 118586484
N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 169021905
3-[amino(propyl)amino]propan-1-amine
CID 174913474
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
ethane;propane;propan-1-ol;N-propylpropan-1-amine
CID 143703279
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane?
The IUPAC name of N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane (CID 143220499) is N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane.
What is the SMILES notation for N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane?
The canonical SMILES for N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane is CCC.CCCNCCN(N)CCN(N)CCC.
What is the InChIKey of N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane?
The InChIKey is NASYFGCWYCJYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N5.C3H8/c1-3-5-13-6-8-15(12)10-9-14(11)7-4-2;1-3-2/h13H,3-12H2,1-2H3;3H2,1-2H3.
What are the key properties of N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane?
N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane has a molecular weight of 261.46 g/mol, XLogP of 1.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino-[2-[amino(propyl)amino]ethyl]amino]ethyl]propan-1-amine;propane is sourced from PubChem (CID 143220499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).