N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine

C19H43N3 — CID 57148222

IUPACN'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
SMILESCCCCNCCN(CCCC)CN(CC(C)C)CC(C)C
InChIInChI=1S/C19H43N3/c1-7-9-11-20-12-14-21(13-10-8-2)17-22(15-18(3)4)16-19(5)6/h18-20H,7-17H2,1-6H3
InChIKeyOPJXAPKQXOOXON-UHFFFAOYSA-N
MW313.57 g/mol
LogP4.05
Rot. Bonds15

About N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine

N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine (PubChem CID 57148222) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
PubChem CID57148222
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC NameN'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
SMILESCCCCNCCN(CCCC)CN(CC(C)C)CC(C)C
InChIInChI=1S/C19H43N3/c1-7-9-11-20-12-14-21(13-10-8-2)17-22(15-18(3)4)16-19(5)6/h18-20H,7-17H2,1-6H3
InChIKeyOPJXAPKQXOOXON-UHFFFAOYSA-N
XLogP4.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575773
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779

Frequently Asked Questions

What is the IUPAC name of N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine?
The IUPAC name of N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine (CID 57148222) is N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine.
What is the SMILES notation for N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine?
The canonical SMILES for N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine is CCCCNCCN(CCCC)CN(CC(C)C)CC(C)C.
What is the InChIKey of N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine?
The InChIKey is OPJXAPKQXOOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3/c1-7-9-11-20-12-14-21(13-10-8-2)17-22(15-18(3)4)16-19(5)6/h18-20H,7-17H2,1-6H3.
What are the key properties of N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine?
N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine has a molecular weight of 313.57 g/mol, XLogP of 4.05, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine is sourced from PubChem (CID 57148222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).