1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine

C17H38N2 — CID 62426971

IUPAC1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
SMILESCC(C)CN(CC(C)C)C(C)CCCNC(C)(C)C
InChIInChI=1S/C17H38N2/c1-14(2)12-19(13-15(3)4)16(5)10-9-11-18-17(6,7)8/h14-16,18H,9-13H2,1-8H3
InChIKeyQNPLXMRLJABBRI-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.16
Rot. Bonds9

About 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine

1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine (PubChem CID 62426971) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
PubChem CID62426971
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
SMILESCC(C)CN(CC(C)C)C(C)CCCNC(C)(C)C
InChIInChI=1S/C17H38N2/c1-14(2)12-19(13-15(3)4)16(5)10-9-11-18-17(6,7)8/h14-16,18H,9-13H2,1-8H3
InChIKeyQNPLXMRLJABBRI-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720
1-N-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-propylpentane-1,4-diamine
CID 62436896
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
N-tert-butyl-3,7-dimethyloctan-1-amine
CID 2794253
N-tert-butyl-4-methoxypentan-1-amine
CID 62444088
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
N-tert-butyl-4-(3-methylbutylsulfanyl)butan-1-amine
CID 107757723
1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 63864384

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine (CID 62426971) is 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine is CC(C)CN(CC(C)C)C(C)CCCNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine?
The InChIKey is QNPLXMRLJABBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-14(2)12-19(13-15(3)4)16(5)10-9-11-18-17(6,7)8/h14-16,18H,9-13H2,1-8H3.
What are the key properties of 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine?
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine is sourced from PubChem (CID 62426971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).