2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine

C15H35N3 — CID 103191810

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CC)C(C)CN(C)C
InChIInChI=1S/C15H35N3/c1-7-9-10-11-16-12-14(3)18(8-2)15(4)13-17(5)6/h14-16H,7-13H2,1-6H3
InChIKeyXQTDHHQXCFISPE-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.43
Rot. Bonds11

About 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine (PubChem CID 103191810) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine
PubChem CID103191810
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CC)C(C)CN(C)C
InChIInChI=1S/C15H35N3/c1-7-9-10-11-16-12-14(3)18(8-2)15(4)13-17(5)6/h14-16H,7-13H2,1-6H3
InChIKeyXQTDHHQXCFISPE-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
1-(pentylamino)propan-2-ol
CID 3016247
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
1-(pentylamino)propan-2-ol;hydrate
CID 173220039
1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62570630
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
CID 55087956
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62568461
2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine
CID 19991248

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine (CID 103191810) is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine is CCCCCNCC(C)N(CC)C(C)CN(C)C.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine?
The InChIKey is XQTDHHQXCFISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-7-9-10-11-16-12-14(3)18(8-2)15(4)13-17(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 103191810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).