N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine

C13H30N2 — CID 23468012

IUPACN',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
SMILESCCCCCCCC(C)NCCN(C)C
InChIInChI=1S/C13H30N2/c1-5-6-7-8-9-10-13(2)14-11-12-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyDDTKAMCWHNNQRS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds10

About N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine

N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine (PubChem CID 23468012) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
PubChem CID23468012
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
SMILESCCCCCCCC(C)NCCN(C)C
InChIInChI=1S/C13H30N2/c1-5-6-7-8-9-10-13(2)14-11-12-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyDDTKAMCWHNNQRS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707
N-propylnonan-2-amine
CID 43129664
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
1-[2-(dimethylamino)ethylamino]heptan-1-ol
CID 147069081
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine (CID 23468012) is N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine is CCCCCCCC(C)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine?
The InChIKey is DDTKAMCWHNNQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-6-7-8-9-10-13(2)14-11-12-15(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine?
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine is sourced from PubChem (CID 23468012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).