N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine

C20H46N4 — CID 10360043

IUPACN,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine
SMILESCC(C)(C)NCCCCNCCCCNCCCCNC(C)(C)C
InChIInChI=1S/C20H46N4/c1-19(2,3)23-17-11-9-15-21-13-7-8-14-22-16-10-12-18-24-20(4,5)6/h21-24H,7-18H2,1-6H3
InChIKeySMBPHPMWRZNIRT-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.28
Rot. Bonds15

About N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine

N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine (PubChem CID 10360043) has the molecular formula C20H46N4 and a molecular weight of 342.62 g/mol. Its IUPAC name is N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine
PubChem CID10360043
Molecular FormulaC20H46N4
Molecular Weight342.62 g/mol
Exact Mass342.37
IUPAC NameN,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine
SMILESCC(C)(C)NCCCCNCCCCNCCCCNC(C)(C)C
InChIInChI=1S/C20H46N4/c1-19(2,3)23-17-11-9-15-21-13-7-8-14-22-16-10-12-18-24-20(4,5)6/h21-24H,7-18H2,1-6H3
InChIKeySMBPHPMWRZNIRT-UHFFFAOYSA-N
XLogP3.28
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.28
H-Bond Donors ≤ 54
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,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine (CID 10360043) is N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine is CC(C)(C)NCCCCNCCCCNCCCCNC(C)(C)C.
What is the InChIKey of N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine?
The InChIKey is SMBPHPMWRZNIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N4/c1-19(2,3)23-17-11-9-15-21-13-7-8-14-22-16-10-12-18-24-20(4,5)6/h21-24H,7-18H2,1-6H3.
What are the key properties of N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine?
N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine has a molecular weight of 342.62 g/mol, XLogP of 3.28, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(tert-butylamino)butyl]butane-1,4-diamine is sourced from PubChem (CID 10360043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).