1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine

C15H30N2 — CID 138671879

IUPAC1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine
SMILESCC(C)(CCN(C1CC1)C(C)(C)C)NC1CC1
InChIInChI=1S/C15H30N2/c1-14(2,3)17(13-8-9-13)11-10-15(4,5)16-12-6-7-12/h12-13,16H,6-11H2,1-5H3
InChIKeyDGSATBWKOOVIHX-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds6

About 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine

1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine (PubChem CID 138671879) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine
PubChem CID138671879
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine
SMILESCC(C)(CCN(C1CC1)C(C)(C)C)NC1CC1
InChIInChI=1S/C15H30N2/c1-14(2,3)17(13-8-9-13)11-10-15(4,5)16-12-6-7-12/h12-13,16H,6-11H2,1-5H3
InChIKeyDGSATBWKOOVIHX-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine (CID 138671879) is 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine is CC(C)(CCN(C1CC1)C(C)(C)C)NC1CC1.
What is the InChIKey of 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine?
The InChIKey is DGSATBWKOOVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)17(13-8-9-13)11-10-15(4,5)16-12-6-7-12/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine?
1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-1-N,3-N-dicyclopropyl-3-methylbutane-1,3-diamine is sourced from PubChem (CID 138671879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).