N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine

C11H29N5 — CID 139553651

IUPACN'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CCNC)CNNCCCN(C)C
InChIInChI=1S/C11H29N5/c1-5-16(10-8-12-2)11-14-13-7-6-9-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyXDNWQVDAWNXAND-UHFFFAOYSA-N
MW231.39 g/mol
LogP-0.47
Rot. Bonds11

About N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine

N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 139553651) has the molecular formula C11H29N5 and a molecular weight of 231.39 g/mol. Its IUPAC name is N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID139553651
Molecular FormulaC11H29N5
Molecular Weight231.39 g/mol
Exact Mass231.24
IUPAC NameN'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CCNC)CNNCCCN(C)C
InChIInChI=1S/C11H29N5/c1-5-16(10-8-12-2)11-14-13-7-6-9-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyXDNWQVDAWNXAND-UHFFFAOYSA-N
XLogP-0.47
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine with MolForge

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Related Compounds

N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
CID 156874721

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine (CID 139553651) is N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine is CCN(CCNC)CNNCCCN(C)C.
What is the InChIKey of N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is XDNWQVDAWNXAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H29N5/c1-5-16(10-8-12-2)11-14-13-7-6-9-15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine?
N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 231.39 g/mol, XLogP of -0.47, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 139553651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).