N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine

C15H34N2 — CID 62260568

IUPACN-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(C)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H34N2/c1-13(2)9-10-17(8)12-15(6,7)11-16-14(3,4)5/h13,16H,9-12H2,1-8H3
InChIKeyFDCMBNACEMWMFD-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds7

About N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine

N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 62260568) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID62260568
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(C)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H34N2/c1-13(2)9-10-17(8)12-15(6,7)11-16-14(3,4)5/h13,16H,9-12H2,1-8H3
InChIKeyFDCMBNACEMWMFD-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine (CID 62260568) is N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine is CC(C)CCN(C)CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is FDCMBNACEMWMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-13(2)9-10-17(8)12-15(6,7)11-16-14(3,4)5/h13,16H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 62260568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).