1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine

C15H32N2 — CID 63864384

IUPAC1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
SMILESCC1CC1CN(C)C(C)CCCNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-12-10-14(12)11-17(6)13(2)8-7-9-16-15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyTXLYKHMBCKXVMU-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine

1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine (PubChem CID 63864384) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
PubChem CID63864384
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
SMILESCC1CC1CN(C)C(C)CCCNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-12-10-14(12)11-17(6)13(2)8-7-9-16-15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyTXLYKHMBCKXVMU-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine (CID 63864384) is 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine is CC1CC1CN(C)C(C)CCCNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
The InChIKey is TXLYKHMBCKXVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-10-14(12)11-17(6)13(2)8-7-9-16-15(3,4)5/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 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-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 63864384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).