N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine

C17H40N4 — CID 146334947

IUPACN'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
SMILESCNCCNCC(C)(C)CCN(C)CCNCC(C)(C)C
InChIInChI=1S/C17H40N4/c1-16(2,3)14-20-11-13-21(7)12-8-17(4,5)15-19-10-9-18-6/h18-20H,8-15H2,1-7H3
InChIKeyZNGARQDLDBZXDJ-UHFFFAOYSA-N
MW300.54 g/mol
LogP1.78
Rot. Bonds12

About N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine

N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine (PubChem CID 146334947) has the molecular formula C17H40N4 and a molecular weight of 300.54 g/mol. Its IUPAC name is N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
PubChem CID146334947
Molecular FormulaC17H40N4
Molecular Weight300.54 g/mol
Exact Mass300.33
IUPAC NameN'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
SMILESCNCCNCC(C)(C)CCN(C)CCNCC(C)(C)C
InChIInChI=1S/C17H40N4/c1-16(2,3)14-20-11-13-21(7)12-8-17(4,5)15-19-10-9-18-6/h18-20H,8-15H2,1-7H3
InChIKeyZNGARQDLDBZXDJ-UHFFFAOYSA-N
XLogP1.78
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine (CID 146334947) is N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine is CNCCNCC(C)(C)CCN(C)CCNCC(C)(C)C.
What is the InChIKey of N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine?
The InChIKey is ZNGARQDLDBZXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N4/c1-16(2,3)14-20-11-13-21(7)12-8-17(4,5)15-19-10-9-18-6/h18-20H,8-15H2,1-7H3.
What are the key properties of N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine?
N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine has a molecular weight of 300.54 g/mol, XLogP of 1.78, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine is sourced from PubChem (CID 146334947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).