N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine

C19H43N3 — CID 122700767

IUPACN,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine
SMILESCC(C)(C)NCCC(CCNC(C)(C)C)CCNC(C)(C)C
InChIInChI=1S/C19H43N3/c1-17(2,3)20-13-10-16(11-14-21-18(4,5)6)12-15-22-19(7,8)9/h16,20-22H,10-15H2,1-9H3
InChIKeyKEWRMIMDRHLNNR-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.94
Rot. Bonds9

About N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine

N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine (PubChem CID 122700767) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine
PubChem CID122700767
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC NameN,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine
SMILESCC(C)(C)NCCC(CCNC(C)(C)C)CCNC(C)(C)C
InChIInChI=1S/C19H43N3/c1-17(2,3)20-13-10-16(11-14-21-18(4,5)6)12-15-22-19(7,8)9/h16,20-22H,10-15H2,1-9H3
InChIKeyKEWRMIMDRHLNNR-UHFFFAOYSA-N
XLogP3.94
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine?
The IUPAC name of N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine (CID 122700767) is N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine.
What is the SMILES notation for N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine?
The canonical SMILES for N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine is CC(C)(C)NCCC(CCNC(C)(C)C)CCNC(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine?
The InChIKey is KEWRMIMDRHLNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3/c1-17(2,3)20-13-10-16(11-14-21-18(4,5)6)12-15-22-19(7,8)9/h16,20-22H,10-15H2,1-9H3.
What are the key properties of N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine?
N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine has a molecular weight of 313.57 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-3-[2-(tert-butylamino)ethyl]pentane-1,5-diamine is sourced from PubChem (CID 122700767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).