ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine

C14H35N3 — CID 163269208

IUPACethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
SMILESCC.CCNCCCN(C)CCCNC(C)C
InChIInChI=1S/C12H29N3.C2H6/c1-5-13-8-6-10-15(4)11-7-9-14-12(2)3;1-2/h12-14H,5-11H2,1-4H3;1-2H3
InChIKeyDBOJZVLNSKVTDU-UHFFFAOYSA-N
MW245.45 g/mol
LogP2.33
Rot. Bonds10

About ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine

ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine (PubChem CID 163269208) has the molecular formula C14H35N3 and a molecular weight of 245.45 g/mol. Its IUPAC name is ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound Nameethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
PubChem CID163269208
Molecular FormulaC14H35N3
Molecular Weight245.45 g/mol
Exact Mass245.28
IUPAC Nameethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
SMILESCC.CCNCCCN(C)CCCNC(C)C
InChIInChI=1S/C12H29N3.C2H6/c1-5-13-8-6-10-15(4)11-7-9-14-12(2)3;1-2/h12-14H,5-11H2,1-4H3;1-2H3
InChIKeyDBOJZVLNSKVTDU-UHFFFAOYSA-N
XLogP2.33
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
CID 145215099
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine (CID 163269208) is ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine is CC.CCNCCCN(C)CCCNC(C)C.
What is the InChIKey of ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
The InChIKey is DBOJZVLNSKVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3.C2H6/c1-5-13-8-6-10-15(4)11-7-9-14-12(2)3;1-2/h12-14H,5-11H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine has a molecular weight of 245.45 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 163269208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).