N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine

C10H20N4 — CID 142925659

IUPACN,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine
SMILESC/N=C1\CCC(N(C)CCNC)=CN1
InChIInChI=1S/C10H20N4/c1-11-6-7-14(3)9-4-5-10(12-2)13-8-9/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyBAUZSQPIPSQCID-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.39
Rot. Bonds4

About N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine (PubChem CID 142925659) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine
PubChem CID142925659
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine
SMILESC/N=C1\CCC(N(C)CCNC)=CN1
InChIInChI=1S/C10H20N4/c1-11-6-7-14(3)9-4-5-10(12-2)13-8-9/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyBAUZSQPIPSQCID-UHFFFAOYSA-N
XLogP0.39
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine (CID 142925659) is N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine is C/N=C1\CCC(N(C)CCNC)=CN1.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine?
The InChIKey is BAUZSQPIPSQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-11-6-7-14(3)9-4-5-10(12-2)13-8-9/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 142925659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).